data_2k9i_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 2k9i _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 ' 11' ' ' ILE . . . . . 0.611 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.3 mm . . . . . 0 C--O 1.237 0.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' B' ' 16' ' ' TYR . 20.5 tptm -99.45 132.44 44.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 111.917 -168.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.3 135.26 47.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.519 175.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 109.22 3.44 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.7 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 12.7 t -104.08 146.68 11.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.655 0.264 . . . . 0.0 110.397 -174.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -127.55 120.0 27.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.219 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.713 HD12 ' HE3' ' A' ' 21' ' ' TRP . 26.3 pt -129.12 161.23 59.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.587 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.36 156.29 22.0 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.779 2.319 . . . . 0.0 112.886 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 8.4 mm-40 -60.22 -19.76 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.713 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -81.6 -51.63 8.03 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -58.2 -37.09 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.738 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.42 -56.52 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.235 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 67.8 mmt-85 -74.19 -34.29 63.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 110.489 -173.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.59 -46.82 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.572 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.9 mmm -65.86 -28.66 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.75 -52.27 57.89 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.334 0.588 . . . . 0.0 109.576 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.75 -32.88 57.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -27.55 69.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.552 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 26' ' ' MET . 34.3 mmtp -75.95 -37.1 58.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.69 -33.85 76.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.823 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.2 -4.39 42.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 62.23 38.89 13.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.148 0.975 . . . . 0.0 110.297 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 97.1 mt -130.77 169.87 15.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.598 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -104.85 161.66 13.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD23 ' SD ' ' A' ' 26' ' ' MET . 2.4 pt? -58.89 -31.32 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.052 0.387 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.587 ' HA ' HG21 ' B' ' 15' ' ' VAL . 19.0 m -56.81 -41.39 77.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.618 176.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 m-20 -66.44 -42.43 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.778 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.4 -36.11 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.933 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 1.6 t -65.78 -51.94 55.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.661 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 3.8 tmt_? -48.98 -46.37 43.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.589 169.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 95.6 mt -66.52 -25.9 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.408 . . . . 0.0 111.067 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' C ' ' B' ' 43' ' ' ALA . . . -70.25 -49.07 53.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.09 -177.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.8 pt -69.03 -28.53 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.813 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' HZ2' ' B' ' 21' ' ' TRP . 26.2 tptp -59.31 -49.59 77.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.235 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.79 -25.74 59.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.525 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 71.0 t80 -61.78 -44.19 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.753 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 92.3 mt -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.58 -27.61 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.11 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 35.4 mm -110.98 151.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -99.59 122.62 42.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.413 0.625 . . . . 0.0 110.952 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.7 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -131.03 132.12 44.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.155 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.7 120.83 6.85 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.54 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 37' ' ' SER . 48.1 t -104.76 151.54 7.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 11.4 m-85 -128.05 113.47 15.84 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.835 HD13 ' HE3' ' B' ' 21' ' ' TRP . 27.2 pt -133.61 155.41 80.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.35 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.8 158.1 34.82 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 123.679 2.919 . . . . 0.0 113.682 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.459 ' HA ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -70.34 -22.02 62.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.117 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 5.5 mm-40 -50.44 -44.12 55.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.53 0.681 . . . . 0.0 110.165 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.835 ' HE3' HD13 ' B' ' 17' ' ' ILE . 42.1 m0 -77.6 -33.74 53.67 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.38 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.611 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 21.6 m-70 -60.65 -38.43 84.83 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.536 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' HD3' ' B' ' 24' ' ' ARG . 10.2 t70 -60.48 -61.18 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.473 . . . . 0.0 110.835 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 13.9 mmt180 -72.46 -51.48 19.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -170.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.2 mm? -65.57 -44.84 85.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.375 -173.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 91.5 mmm -67.06 -30.46 70.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.028 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.28 -39.7 89.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.599 0.714 . . . . 0.0 109.704 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.14 -35.46 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.665 0.745 . . . . 0.0 109.063 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -64.92 -16.65 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.662 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 26' ' ' MET . 28.2 mmtp -78.29 -50.74 11.28 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 174.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.8 -37.95 80.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -91.67 -14.58 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.704 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.27 54.2 3.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.845 0.831 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 96.2 mt -135.22 168.92 18.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.632 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -103.99 156.22 18.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.531 HD13 HD11 ' B' ' 17' ' ' ILE . 2.7 pt? -60.31 -29.19 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.531 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.4 m -57.31 -42.16 81.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.271 174.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.576 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 38.5 m-20 -64.96 -47.06 78.96 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.708 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.54 -38.58 82.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.364 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.501 ' HA ' HG23 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.88 -51.73 63.2 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.417 0.627 . . . . 0.0 109.513 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.634 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.32 -49.35 67.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.919 0.888 . . . . 0.0 111.971 171.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 97.2 mt -64.28 -32.01 73.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.204 0.526 . . . . 0.0 110.429 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -73.37 -23.25 60.16 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.526 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 40.5 mt -68.54 -44.16 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -60.02 -33.71 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.169 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.55 -44.28 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.258 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.452 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 64.7 t80 -60.85 -40.23 92.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.272 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 88.5 mt -65.87 -50.47 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.78 -34.3 76.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -173.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -77.6 -24.69 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.146 -0.346 . . . . 0.0 111.763 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . 0.452 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 66.3 m-70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.522 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.532 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 12.0 mm . . . . . 0 C--O 1.234 0.258 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -99.99 130.57 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 111.512 -174.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.622 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.479 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.7 122.65 7.58 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.499 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.746 HG23 ' HB3' ' B' ' 37' ' ' SER . 6.4 t -112.26 163.68 8.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.63 128.16 30.62 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.944 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.501 ' O ' ' HA2' ' B' ' 10' ' ' GLY . 4.8 pt -150.81 153.64 33.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.942 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 40.7 Cg_exo -58.35 162.02 12.94 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.594 2.863 . . . . 0.0 113.567 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.464 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.86 -19.7 62.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.519 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 8.4 m95 -79.19 -48.36 14.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 1.058 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -61.21 -33.97 74.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.73 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.09 -53.83 53.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.373 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -73.36 -30.71 63.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.839 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 36' ' ' LEU . 70.9 mt -63.81 -51.18 65.92 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.17 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.77 -56.72 14.95 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.293 0.568 . . . . 0.0 109.994 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.2 -42.91 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.68 -22.11 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.434 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 34.1 ttpt -78.3 -51.4 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.218 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.95 -38.98 93.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -93.16 -4.34 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 62.73 61.16 1.21 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 122.014 0.911 . . . . 0.0 110.043 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.3 mt -135.54 166.82 22.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 36' ' ' LEU . 1.3 m -109.78 158.47 18.11 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.97 -36.62 75.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.135 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.938 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.4 p -58.55 -43.11 89.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.639 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.5 m-20 -64.68 -45.47 86.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.85 -32.03 55.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.68 0.276 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.64 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 2.6 t -69.06 -56.13 8.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.804 0.335 . . . . 0.0 110.639 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.6 ppt_? -59.04 -35.58 73.56 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.987 -0.445 . . . . 0.0 112.165 173.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.1 mt -68.06 -23.28 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.661 -0.649 . . . . 0.0 109.545 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -72.53 -31.55 65.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.548 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.819 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 29.0 mm -64.61 -49.2 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.6 -36.17 73.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.553 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.626 ' HG2' ' CD2' ' B' ' 47' ' ' TYR . 5.7 tp10 -71.53 -39.05 70.98 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 63.0 t80 -62.93 -47.47 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.289 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.6 mt -66.28 -50.87 62.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.0 -40.18 90.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.434 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.285 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . . . . . . 0 N--CA 1.441 -0.999 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 1.058 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 26.5 mm -104.76 149.96 7.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.13 128.86 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 0.0 110.276 -173.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.818 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -132.07 165.76 23.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.687 -177.585 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.68 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -140.31 122.11 2.11 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.243 -0.979 . . . . 0.0 111.987 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.938 HG22 ' HA ' ' A' ' 37' ' ' SER . 40.4 t -104.74 144.88 13.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.13 119.04 37.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.614 HD11 ' HE3' ' B' ' 21' ' ' TRP . 39.1 pt -142.11 154.67 64.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.43 170.2 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 124.105 3.203 . . . . 0.0 114.103 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -80.72 -36.51 32.02 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.715 -175.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 3.9 pm0 -61.27 -21.74 64.2 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.435 0.635 . . . . 0.0 110.026 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.819 ' CH2' ' HB ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -79.6 -47.16 15.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.987 177.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.532 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-70 -57.98 -37.99 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.96 -55.51 33.97 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.29 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 12.3 mpt_? -74.96 -35.92 62.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.503 HD23 HD12 ' B' ' 28' ' ' ILE . 59.1 mt -67.95 -34.39 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.5 mtt -66.71 -33.32 75.39 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.041 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.61 -40.82 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.503 HD12 HD23 ' B' ' 25' ' ' LEU . 82.4 mt -65.91 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.59 174.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.023 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -84.1 -58.25 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.805 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' B' ' 32' ' ' LYS . 27.9 tt0 -62.3 -42.49 99.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.893 -173.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' B' ' 31' ' ' GLU . 2.5 mptp? -95.5 -8.33 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.153 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 61.27 53.71 3.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.725 0.774 . . . . 0.0 110.592 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -128.82 169.33 14.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.706 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -104.58 153.81 20.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.622 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -58.6 -33.54 70.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.004 0.431 . . . . 0.0 110.605 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.746 ' HB3' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -57.59 -40.6 79.41 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.927 173.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.554 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 48.9 m-20 -65.07 -50.29 66.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.66 -38.15 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.64 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -65.33 -60.43 2.99 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.762 0.315 . . . . 0.0 110.531 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.554 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 2.5 ppt_? -63.31 -33.61 75.89 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.457 ' N ' ' HD2' ' B' ' 41' ' ' ARG . 80.5 mt -68.05 -31.43 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.357 0.599 . . . . 0.0 109.696 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -71.3 -24.18 62.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.278 176.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.483 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 57.7 mt -66.96 -42.99 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -55.8 -48.7 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -71.81 -27.58 63.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.077 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.626 ' CD2' ' HG2' ' A' ' 46' ' ' GLU . 62.9 t80 -62.03 -45.91 91.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.422 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 38.8 mt -69.6 -51.14 37.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.747 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -59.54 -38.43 81.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.403 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -80.99 -19.28 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 49.4 m170 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.313 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.234 0.274 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HB2' ' HE1' ' B' ' 16' ' ' TYR . 5.0 tppp? -100.32 130.02 46.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.322 0.582 . . . . 0.0 110.83 -171.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.669 HD11 ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.526 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.3 104.81 2.68 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.698 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' B' ' 37' ' ' SER . 13.1 t -104.23 158.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -132.57 133.71 44.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.297 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.7 pt -136.21 150.4 70.85 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.966 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 71.8 Cg_exo -51.73 147.44 24.46 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.453 2.769 . . . . 0.0 113.013 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HG2' HD13 ' B' ' 11' ' ' ILE . 0.5 OUTLIER -57.75 -56.23 24.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.96 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 13.5 mm-40 -58.43 -27.84 64.71 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.966 ' HE3' ' HD2' ' A' ' 18' ' ' PRO . 21.1 t90 -82.42 -37.2 25.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.533 ' O ' ' HG3' ' A' ' 26' ' ' MET . 59.2 t-80 -62.11 -40.07 94.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.801 172.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.786 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 27.1 t70 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.899 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 11.3 mpt_? -75.73 -27.91 58.34 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.754 0.312 . . . . 0.0 110.267 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.71 -36.33 83.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.268 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.786 ' HE1' ' HA ' ' A' ' 23' ' ' ASP . 61.1 mtm -64.56 -42.21 95.81 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.304 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.02 -46.12 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.01 -35.72 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.254 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -61.95 -38.19 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.396 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.45 -30.83 53.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 110.47 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.98 -41.38 97.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -95.72 -4.46 44.1 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 62.81 44.76 6.12 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.56 0.695 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 94.2 mt -130.83 168.95 16.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.238 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.6 p -103.26 159.25 15.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.643 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.4 pt? -59.12 -32.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.108 0.48 . . . . 0.0 110.119 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.826 ' HA ' HG21 ' B' ' 15' ' ' VAL . 12.3 m -57.48 -41.16 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.692 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.3 m-20 -64.75 -45.74 85.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.52 -31.73 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.794 ' HG ' ' HB3' ' B' ' 40' ' ' CYS . 4.9 t -68.38 -57.19 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.887 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.1 -29.95 70.06 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.021 -0.425 . . . . 0.0 112.114 174.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 70.5 mt -72.54 -22.23 61.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 110.495 174.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -71.02 -44.77 65.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.208 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.648 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 2.6 pt -69.64 -26.2 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.347 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.21 -40.88 95.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 5.7 tp10 -69.62 -37.69 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.681 0.753 . . . . 0.0 108.991 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -62.6 -49.95 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.549 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.7 mt -68.3 -59.39 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.06 -12.82 21.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.379 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.7 t-20 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 122.272 -0.268 . . . . 0.0 110.511 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.693 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.516 HG23 ' CE1' ' A' ' 22' ' ' HIS . 22.1 mm -106.62 156.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.71 127.96 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 110.268 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.826 ' HB3' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -134.12 128.55 34.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.836 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.31 120.38 6.73 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.753 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.826 HG21 ' HA ' ' A' ' 37' ' ' SER . 46.4 t -103.4 155.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.422 ' HE1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -133.2 113.17 12.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.559 0.219 . . . . 0.0 110.563 -174.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' B' ' 18' ' ' PRO . 7.3 pt -141.94 145.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.519 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' B' ' 21' ' ' TRP . 4.6 Cg_exo -77.0 -175.14 2.49 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.807 3.005 . . . . 0.0 115.107 -169.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.646 ' HG2' ' N ' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -51.13 -55.72 16.36 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.466 -178.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.646 ' N ' ' HG2' ' B' ' 19' ' ' GLN . 6.2 mm-40 -48.27 -36.1 13.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.224 0.61 . . . . 0.0 111.897 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.491 ' CD1' ' HD2' ' B' ' 18' ' ' PRO . 16.4 m95 -74.98 -54.87 6.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.421 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' B' ' 26' ' ' MET . 15.3 m-70 -58.67 -39.95 82.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.132 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.84 -55.2 38.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 111.178 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.582 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 10.1 mpt_? -73.45 -37.18 65.92 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.453 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 68.8 mt -64.51 -45.39 87.44 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.731 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 57.8 mtm -63.13 -33.9 76.45 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.92 -48.44 80.41 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.025 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.35 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 0.0 109.672 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -63.94 -25.74 68.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.86 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.731 ' HG3' ' O ' ' B' ' 26' ' ' MET . 81.7 mttt -79.29 -45.73 19.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.4 -36.87 83.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.086 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.14 -4.16 46.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.35 39.66 18.47 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.152 0.501 . . . . 0.0 111.97 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.613 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 95.4 mt -120.1 167.12 12.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.114 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 79.7 p -106.95 150.28 26.62 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 166.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.669 ' CD1' HD11 ' A' ' 13' ' ' LEU . 3.5 pp -63.95 -23.25 67.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 -175.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.759 ' HB3' HG21 ' A' ' 15' ' ' VAL . 13.5 m -59.26 -47.36 85.64 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 109.84 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -63.9 -46.75 83.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.694 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.35 -34.06 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.794 ' HB3' ' HG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -64.13 -61.72 2.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.409 -179.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.729 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.74 -33.51 73.03 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.511 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 64.4 mt -67.27 -33.26 74.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.046 0.451 . . . . 0.0 110.111 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.436 ' C ' ' HB3' ' A' ' 43' ' ' ALA . . . -74.79 -21.16 59.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.091 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.935 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 49.3 mt -68.72 -39.93 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -56.72 -46.7 81.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.021 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' B' ' 49' ' ' ASP . 0.4 OUTLIER -70.88 -30.5 66.88 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 178.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -61.55 -44.39 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.282 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.7 mt -68.87 -44.12 73.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.853 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.444 ' HB3' ' HA ' ' B' ' 46' ' ' GLU . 38.2 t70 -61.3 -29.77 70.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.382 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -35.88 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.821 0.344 . . . . 0.0 110.892 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.9 m170 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.38 -171.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.864 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 26.9 mm . . . . . 0 C--O 1.239 0.504 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.12 139.01 37.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 -172.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.915 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -127.86 154.25 45.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.294 0.568 . . . . 0.0 112.095 -172.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 118.79 6.01 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.134 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.551 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 16.4 t -112.24 161.73 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' HG22 ' A' ' 17' ' ' ILE . 30.2 m-85 -135.94 144.98 45.74 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.586 HD13 ' HB3' ' A' ' 21' ' ' TRP . 1.8 pt -155.94 149.79 19.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.388 170.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 89.1 Cg_exo -49.51 165.98 0.23 Allowed 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 124.021 3.147 . . . . 0.0 114.951 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -56.92 -42.82 80.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.752 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 37.0 mt-10 -57.06 -26.35 60.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.267 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.604 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 20.2 m95 -79.95 -45.03 19.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.202 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 14.2 m-70 -65.61 -43.22 90.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.4 -49.19 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.115 0.483 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 6.6 mpt_? -74.52 -41.61 60.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 25' ' ' LEU . 17.1 mt -65.7 -33.11 75.12 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.184 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.858 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 2.8 mmt -62.68 -45.72 91.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.664 0.269 . . . . 0.0 110.78 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.71 -45.19 75.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.604 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.3 -39.42 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.947 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -64.44 -25.99 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -74.85 -39.61 61.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.525 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.67 -39.88 95.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.227 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.06 -5.47 44.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.73 51.13 4.02 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.893 0.854 . . . . 0.0 110.193 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.646 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 95.4 mt -135.46 168.47 19.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.185 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.6 p -104.1 161.97 13.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD13 HD13 ' B' ' 13' ' ' LEU . 2.1 pt? -58.7 -36.39 74.15 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.548 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.931 ' HA ' HG21 ' B' ' 15' ' ' VAL . 12.7 m -57.75 -43.97 85.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 174.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 53.7 m-20 -64.73 -48.59 74.05 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.33 -35.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.667 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 1.1 t -69.84 -52.31 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.4 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.687 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 0.2 OUTLIER -59.13 -39.03 81.07 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.992 -0.442 . . . . 0.0 111.497 174.122 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.0 mt -66.67 -29.52 69.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.51 0.671 . . . . 0.0 109.699 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.34 63.76 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.424 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.707 HG22 HD12 ' B' ' 25' ' ' LEU . 36.4 mt -68.55 -39.79 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -59.55 -39.71 84.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.86 -37.58 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.728 0.775 . . . . 0.0 109.254 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.71 -45.29 93.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.447 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 HD23 ' B' ' 25' ' ' LEU . 88.8 mt -65.26 -50.64 64.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.639 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -32.83 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.383 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.599 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mm -109.63 157.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -166.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -99.33 131.16 45.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.206 0.527 . . . . 0.0 110.247 -169.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.551 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -130.32 138.36 50.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.062 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.58 112.07 4.09 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.936 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.931 HG21 ' HA ' ' A' ' 37' ' ' SER . 47.9 t -104.24 142.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.96 124.16 50.96 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.811 HD12 ' HE3' ' B' ' 21' ' ' TRP . 15.1 pt -140.22 151.43 64.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.889 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.9 Cg_exo -61.96 159.73 32.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.729 2.953 . . . . 0.0 112.919 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -20.09 60.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.05 -33.57 69.15 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 109.508 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.811 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -80.29 -41.65 24.55 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.798 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.864 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.6 m-70 -57.09 -42.71 81.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.623 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.58 -62.87 1.55 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.508 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -72.49 -50.18 27.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.707 HD12 HG22 ' A' ' 44' ' ' ILE . 91.1 mt -66.72 -43.21 84.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.647 -174.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 88.5 mtp -68.53 -23.91 64.58 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.436 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.44 -40.89 93.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 170.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.454 ' HA ' ' OE2' ' B' ' 31' ' ' GLU . 70.8 mt -65.55 -38.85 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 176.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -63.9 -25.8 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.579 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -78.31 -34.8 48.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.121 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' HA ' ' B' ' 28' ' ' ILE . 40.7 mt-10 -64.96 -48.0 75.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.399 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -94.92 -3.42 48.68 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.6 57.93 0.84 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.143 0.973 . . . . 0.0 110.028 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 95.4 mt -133.77 168.56 18.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.416 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -103.43 160.86 14.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.915 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -60.02 -31.63 70.13 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.031 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.468 ' HB3' HG23 ' A' ' 15' ' ' VAL . 13.7 m -56.89 -40.86 77.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.284 174.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 34.7 m-20 -64.14 -40.19 95.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.266 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.2 -39.61 84.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.033 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.492 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 1.7 t -67.21 -58.35 5.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.742 0.306 . . . . 0.0 110.483 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -31.03 67.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 68.4 mt -72.07 -24.37 61.5 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.72 63.45 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.437 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 1.8 pt -70.37 -32.97 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.16 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -59.54 -41.32 89.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.188 0.518 . . . . 0.0 109.695 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.69 -38.68 77.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -62.61 -41.83 99.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.291 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.5 mt -63.98 -54.06 40.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.444 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -41.09 78.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.81 -26.49 44.3 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 111.662 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 0.0 111.074 178.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.653 HD12 ' OE1' ' B' ' 19' ' ' GLN . 4.3 mp . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -100.16 126.61 46.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.239 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.812 HD11 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -125.67 166.6 16.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.682 -175.513 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.15 147.22 19.11 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.737 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG21 ' HA ' ' B' ' 37' ' ' SER . 11.6 t -133.15 164.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -175.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.9 m-85 -131.36 135.16 46.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.27 0.228 . . . . 0.0 110.668 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.687 HG12 HD22 ' B' ' 13' ' ' LEU . 4.5 pt -151.44 151.01 28.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.031 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 24.3 Cg_endo -64.42 172.82 6.03 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 123.237 2.625 . . . . 0.0 114.186 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.82 -36.38 76.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.215 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.8 mm-40 -55.19 -33.28 62.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 111.394 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.505 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.8 m95 -78.72 -50.76 10.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.644 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 38.9 m-70 -59.74 -36.64 77.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.229 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.49 -59.02 5.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.406 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.1 mpt_? -75.58 -42.97 50.69 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.658 -173.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.96 -50.97 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.002 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.716 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 88.7 mmm -66.94 -24.94 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.973 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.1 -46.73 82.94 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.535 0.683 . . . . 0.0 109.441 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -62.73 -37.3 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -64.79 -22.73 67.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.669 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' ' 26' ' ' MET . 89.8 mttt -76.38 -45.53 31.41 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.23 -43.2 96.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.988 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -95.88 -3.86 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -174.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 m120 63.34 57.99 1.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.297 0.57 . . . . 0.0 111.292 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.645 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 90.4 mt -133.28 166.52 22.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.266 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 p -108.09 157.79 17.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 170.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -60.71 -23.92 65.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.234 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.023 ' HA ' HG21 ' B' ' 15' ' ' VAL . 14.8 m -59.93 -48.73 80.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.164 170.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.3 m-20 -64.43 -46.09 84.72 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.046 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.74 -31.79 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HB3' HG22 ' B' ' 15' ' ' VAL . 3.0 t -69.46 -49.5 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.909 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.558 ' HB2' ' CH2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -65.7 -31.61 72.71 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.276 -0.265 . . . . 0.0 111.301 173.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 94.2 mt -68.88 -25.52 64.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 109.666 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -70.83 -49.77 42.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.645 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.773 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 1.3 pt -68.29 -22.05 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.559 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 42' ' ' LEU . 85.6 tttt -58.0 -55.83 29.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.37 173.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.82 -24.25 58.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.25 0.548 . . . . 0.0 109.543 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.773 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 80.1 t80 -61.33 -43.0 99.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.207 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.7 mt -66.71 -54.04 27.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.623 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.09 -21.0 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.664 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.404 -0.185 . . . . 0.0 111.149 -175.432 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.892 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.644 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 mp -119.0 148.04 22.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -172.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -99.61 123.6 44.03 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 110.596 -170.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.687 HD22 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -123.21 165.27 17.18 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.448 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.488 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -142.74 120.48 1.57 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.121 -1.037 . . . . 0.0 112.472 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 1.023 HG21 ' HA ' ' A' ' 37' ' ' SER . 39.3 t -105.12 155.96 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.39 122.8 26.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.598 HG12 HD22 ' A' ' 13' ' ' LEU . 37.3 pt -142.11 152.12 60.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.721 0.296 . . . . 0.0 111.193 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.786 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 28.7 Cg_endo -62.96 163.46 22.29 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.848 3.032 . . . . 0.0 114.474 -174.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.653 ' OE1' HD12 ' A' ' 11' ' ' ILE . 40.9 tp60 -62.94 -42.84 99.94 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.283 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 6.6 mm-40 -50.86 -40.92 57.41 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.917 0.865 . . . . 0.0 110.766 177.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.786 ' HE3' ' HD2' ' B' ' 18' ' ' PRO . 3.7 t90 -80.19 -30.55 38.77 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.257 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.619 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 2.6 m-70 -66.59 -49.52 66.08 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.374 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.33 -48.54 68.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.739 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 9.9 mpt_? -74.01 -47.29 38.08 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.394 -176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.657 HD12 HG12 ' B' ' 39' ' ' VAL . 4.5 mm? -66.99 -40.18 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.478 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.555 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 94.8 mmm -65.41 -28.98 69.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.2 -45.8 91.74 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.684 0.754 . . . . 0.0 109.071 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.76 -37.14 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.906 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.78 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.541 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 26' ' ' MET . 89.1 mttt -76.83 -56.93 4.16 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' C ' ' HE2' ' B' ' 32' ' ' LYS . 6.2 mm-40 -61.62 -31.67 71.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.793 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.454 ' HE2' ' C ' ' B' ' 31' ' ' GLU . 1.0 OUTLIER -95.39 -4.73 44.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.36 37.97 19.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.107 0.479 . . . . 0.0 111.433 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.03 166.47 11.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.445 ' O ' HG21 ' B' ' 39' ' ' VAL . 40.0 p -104.89 158.09 16.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 13' ' ' LEU . 2.2 pt? -56.58 -37.89 71.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.991 0.424 . . . . 0.0 110.054 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.494 ' HA ' HG21 ' A' ' 15' ' ' VAL . 7.3 m -55.2 -47.52 75.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.85 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.408 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 40.5 m-20 -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.339 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.657 HG12 HD12 ' B' ' 25' ' ' LEU . 61.8 t -61.68 -43.23 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.358 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 40' ' ' CYS . 14.1 m -66.54 -54.57 22.24 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.091 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' B' ' 44' ' ' ILE . 6.4 ppt_? -62.13 -34.4 76.27 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.36 -31.9 72.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.509 0.671 . . . . 0.0 109.634 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -73.19 -20.96 60.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.707 176.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.474 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 59.4 mt -66.05 -45.3 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.67 -36.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.329 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -68.42 -41.15 80.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.391 0.615 . . . . 0.0 109.656 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -63.81 -42.59 97.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.998 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.8 mt -66.91 -44.47 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.471 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.97 -43.31 77.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.962 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -76.96 -28.73 55.28 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . 0.454 ' CD2' ' HA ' ' B' ' 48' ' ' LEU . 4.2 p80 . . . . . 0 C--N 1.33 -0.257 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.829 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp . . . . . 0 C--O 1.236 0.345 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.749 ' HD3' ' CE1' ' B' ' 16' ' ' TYR . 26.9 tptp -98.63 123.61 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -171.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' HB3' HD13 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -131.22 165.46 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.027 178.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 119.48 2.05 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.834 HG21 ' HA ' ' B' ' 37' ' ' SER . 46.3 t -103.16 155.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.037 ' CD1' ' HD3' ' B' ' 12' ' ' LYS . 4.2 t80 -128.89 120.21 25.78 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.79 HG12 HD22 ' B' ' 13' ' ' LEU . 24.6 pt -138.63 153.48 72.38 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.628 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 32.3 Cg_exo -59.71 167.97 6.1 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.553 2.835 . . . . 0.0 114.466 -174.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 1.036 ' NE2' HD13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -68.92 -40.74 78.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.545 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.5 mp0 -53.06 -37.23 61.45 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.806 0.812 . . . . 0.0 109.823 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.795 ' CZ3' ' HG2' ' B' ' 41' ' ' ARG . 10.1 m0 -73.22 -58.48 3.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.187 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.85 ' CB ' HD11 ' B' ' 11' ' ' ILE . 10.7 t-80 -51.9 -43.12 63.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.065 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.83 -55.46 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.67 -31.72 65.28 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 111.078 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.77 -41.75 87.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 92.9 mmm -64.53 -30.19 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.18 -46.14 82.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.219 0.533 . . . . 0.0 109.854 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.69 -35.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.006 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.76 79.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.394 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 26' ' ' MET . 45.2 mttp -79.42 -43.27 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.061 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.74 -42.64 97.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.518 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -94.5 -3.81 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 62.65 51.63 3.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.761 0.791 . . . . 0.0 110.4 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.16 168.93 18.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.568 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.481 HG21 HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.57 151.16 22.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.958 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -58.05 -28.13 64.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.668 0.27 . . . . 0.0 110.905 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.812 ' HA ' HG23 ' B' ' 15' ' ' VAL . 9.1 p -59.39 -47.42 85.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.084 0.468 . . . . 0.0 110.64 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.582 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 45.7 m-20 -63.75 -41.74 97.96 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.647 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.8 -37.49 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 3.5 t -67.75 -48.49 66.25 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 109.968 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.825 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 2.3 tmt_? -49.56 -50.62 41.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.581 0.752 . . . . 0.0 111.13 169.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.9 mt -67.31 -24.63 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.973 0.416 . . . . 0.0 110.732 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.518 ' C ' ' HB3' ' B' ' 43' ' ' ALA . . . -69.3 -36.64 77.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.515 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.026 ' HB ' ' HZ2' ' B' ' 21' ' ' TRP . 19.7 mt -69.91 -34.9 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -46.69 84.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.335 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.59 -25.99 59.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.398 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD22 HD23 ' B' ' 25' ' ' LEU . 80.8 mt -68.83 -46.56 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.204 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.42 -29.8 70.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.045 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.602 HD21 ' CD ' ' B' ' 46' ' ' GLU . 53.1 t30 . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.109 0.481 . . . . 0.0 110.712 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.78 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 1.036 HD13 ' NE2' ' A' ' 19' ' ' GLN . 4.4 mp -129.05 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 1.037 ' HD3' ' CD1' ' A' ' 16' ' ' TYR . 17.2 tptp -100.92 134.7 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.958 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.36 140.06 47.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -176.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.95 116.1 5.37 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.058 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.812 HG23 ' HA ' ' A' ' 37' ' ' SER . 23.2 t -107.78 162.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.749 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 3.2 m-85 -131.87 130.02 41.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.777 0.322 . . . . 0.0 110.754 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 13' ' ' LEU . 39.5 pt -139.74 140.44 24.78 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -176.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.872 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 43.8 Cg_exo -59.53 161.07 18.4 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 123.869 3.046 . . . . 0.0 113.413 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -80.43 -33.24 37.04 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.94 -172.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 1.3 mp0 -59.21 -35.24 73.26 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 122.618 1.199 . . . . 0.0 109.35 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 1.026 ' HZ2' ' HB ' ' A' ' 44' ' ' ILE . 10.8 t90 -79.26 -25.57 42.53 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.516 -1.674 . . . . 0.0 108.397 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' B' ' 26' ' ' MET . 3.3 m-70 -65.06 -44.46 88.9 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.312 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' B' ' 20' ' ' GLU . 16.7 m-20 -50.82 -57.8 7.52 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.068 0.461 . . . . 0.0 110.285 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.522 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 7.2 mpt_? -73.62 -52.3 13.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.687 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.72 HD12 HG12 ' B' ' 39' ' ' VAL . 3.5 mm? -67.92 -44.18 77.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.7 ' SD ' ' HB3' ' B' ' 36' ' ' LEU . 80.6 mmm -67.67 -25.59 65.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.887 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -65.7 -40.41 92.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.567 171.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.11 -37.85 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.645 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -61.92 -27.77 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.501 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 26' ' ' MET . 61.2 mttp -78.43 -44.19 25.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.126 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.36 -39.75 95.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.24 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -95.93 -3.17 45.72 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.6 49.11 2.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.361 0.6 . . . . 0.0 111.272 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 77.9 mt -124.53 166.1 16.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.221 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 39' ' ' VAL . 81.9 p -110.59 162.85 14.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 172.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 13' ' ' LEU . 2.4 pt? -55.77 -38.15 69.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.916 0.388 . . . . 0.0 110.493 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.834 ' HA ' HG21 ' A' ' 15' ' ' VAL . 4.8 m -56.94 -47.32 80.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.472 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 68.8 m-20 -64.67 -43.59 93.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.609 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.72 HG12 HD12 ' B' ' 25' ' ' LEU . 69.7 t -63.61 -38.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.552 -176.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.05 -53.61 47.1 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.795 ' HG2' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -49.09 -50.23 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.281 171.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.0 mt -64.61 -27.93 69.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.315 0.578 . . . . 0.0 110.578 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.518 ' HB3' ' C ' ' A' ' 43' ' ' ALA . . . -71.31 -32.99 69.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.104 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 28.2 mt -66.52 -38.55 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -56.52 -48.03 78.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.602 ' CD ' HD21 ' A' ' 50' ' ' ASN . 32.7 tt0 -72.98 -33.75 66.03 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.91 -43.32 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.048 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 76.0 mt -64.78 -41.42 95.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.982 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.0 -37.14 83.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.226 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -73.32 -31.71 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.131 -0.356 . . . . 0.0 111.263 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 120.974 0.416 . . . . 0.0 110.803 -176.293 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -100.18 134.91 42.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 -170.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.814 ' HG ' ' HB ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -135.84 167.03 21.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.644 -179.381 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.83 126.09 2.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.29 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 1.032 HG23 ' HA ' ' B' ' 37' ' ' SER . 66.9 t -111.08 141.82 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.53 122.51 45.73 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.666 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 HD13 ' A' ' 36' ' ' LEU . 25.9 pt -141.62 156.75 66.3 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.633 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.44 169.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.218 2.612 . . . . 0.0 113.09 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HG2' ' OE1' ' A' ' 20' ' ' GLU . 6.7 pt20 -76.43 -34.28 58.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.624 -177.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' HG2' ' A' ' 19' ' ' GLN . 1.7 mp0 -54.42 -32.74 58.04 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.825 173.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.925 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 4.0 m95 -77.19 -57.9 3.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.261 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.497 ' HA ' HD12 ' A' ' 36' ' ' LEU . 46.9 t-80 -50.19 -47.48 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.121 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.79 -52.6 49.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.467 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.3 mpt_? -72.3 -34.69 68.33 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 -174.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.05 -42.41 94.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.504 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 4.9 mmt -62.81 -41.27 99.23 Favored 'General case' 0 C--O 1.22 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 111.661 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 27.3 mm-40 -57.63 -52.86 63.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.007 0.432 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.435 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 67.5 mt -63.64 -43.7 98.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.209 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -61.52 -36.33 80.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.506 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 26' ' ' MET . 28.2 mtpp -76.64 -24.72 53.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 70.0 mt-10 -60.63 -46.0 91.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.055 0.455 . . . . 0.0 110.023 171.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 28' ' ' ILE . 1.3 mptp? -93.1 -2.38 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.232 -174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.1 t30 65.39 54.36 1.17 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.184 0.993 . . . . 0.0 110.615 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 95.6 mt -133.91 168.5 18.66 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.567 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -105.09 157.46 17.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.747 ' HG ' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -60.87 -27.4 68.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 109.957 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.497 ' OG ' ' HA ' ' B' ' 15' ' ' VAL . 29.2 t -55.56 -47.74 75.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.055 171.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.609 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 63.3 m-20 -63.79 -49.3 73.47 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.067 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -33.37 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.861 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.957 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 5.2 t -70.03 -55.68 8.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.622 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.91 -32.47 70.78 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 173.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -71.33 -23.89 62.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.591 -0.693 . . . . 0.0 109.796 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -69.99 -40.44 75.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.999 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 41' ' ' ARG . 15.5 pt -69.32 -31.17 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' HH2' ' B' ' 21' ' ' TRP . 66.7 tttm -59.89 -48.41 81.8 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.11 -28.53 62.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.277 0.561 . . . . 0.0 109.499 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -63.45 -46.2 87.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.707 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 76.9 mt -66.4 -39.58 89.1 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.035 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.66 -43.3 93.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.323 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 . . . . . 0 CA--C 1.535 0.404 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.611 -175.486 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.65 139.09 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.673 0.273 . . . . 0.0 110.578 -169.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -102.27 127.45 49.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 -176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.747 HD13 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -128.58 145.86 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.31 179.375 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.9 124.37 8.19 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.104 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.814 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 17.5 t -109.41 155.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -135.44 124.41 24.2 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.677 HD11 ' HE3' ' B' ' 21' ' ' TRP . 22.3 pt -147.06 159.14 43.61 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.587 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 15.8 Cg_endo -56.86 158.71 16.18 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.437 2.758 . . . . 0.0 113.622 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.7 -35.97 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.182 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -57.07 -30.66 64.49 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.878 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.677 ' HE3' HD11 ' B' ' 17' ' ' ILE . 1.7 m0 -77.77 -47.23 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.319 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -56.43 -37.97 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.04 -57.93 10.66 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 3.0 mpt_? -76.07 -30.2 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -175.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 60.9 mt -63.24 -45.95 89.21 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.478 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.609 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 24.6 mmt -63.86 -37.97 89.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.14 -44.8 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.53 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' B' ' 32' ' ' LYS . 80.3 mt -64.77 -33.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.516 0.674 . . . . 0.0 110.108 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.12 -34.44 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 26' ' ' MET . 24.9 mtpp -79.99 -39.37 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.85 -53.68 46.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.946 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.543 ' HD2' HG23 ' B' ' 28' ' ' ILE . 49.3 mttp -95.56 -0.9 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.148 -165.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.8 t30 69.07 55.02 0.43 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.063 0.935 . . . . 0.0 110.208 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.3 mt -135.59 166.35 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.743 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.491 ' O ' HG21 ' B' ' 39' ' ' VAL . 45.0 p -118.13 160.69 21.11 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 168.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 13' ' ' LEU . 2.5 pt? -59.23 -30.83 68.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.159 0.504 . . . . 0.0 110.051 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 1.032 ' HA ' HG23 ' A' ' 15' ' ' VAL . 8.2 t -60.98 -50.48 73.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.026 173.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.6 -42.01 98.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.792 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 35' ' ' THR . 77.5 t -62.35 -38.6 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.734 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.957 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 88.0 m -63.31 -63.64 1.13 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.629 0.252 . . . . 0.0 111.173 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.925 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -54.85 -42.4 71.93 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.316 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.496 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 42.1 mt -65.13 -35.33 80.78 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.721 -0.612 . . . . 0.0 110.322 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 47' ' ' TYR . . . -72.25 -21.94 61.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.993 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 20.1 mt -69.88 -39.68 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -39.54 84.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.316 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 109.452 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' B' ' 43' ' ' ALA . 22.4 t80 -62.03 -44.88 95.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.735 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.5 mt -66.9 -43.01 84.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.541 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -45.01 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -81.75 -12.99 58.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 C--N 1.324 -0.503 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.698 -179.507 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.648 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 22.6 mm . . . . . 0 C--O 1.234 0.252 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.99 129.7 45.3 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.174 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -131.65 128.22 38.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.417 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.575 ' O ' ' OG ' ' B' ' 37' ' ' SER . . . -104.4 121.89 7.15 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.902 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 1.13 HG21 ' HA ' ' B' ' 37' ' ' SER . 56.9 t -108.2 145.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.75 118.04 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.526 0.203 . . . . 0.0 110.781 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.828 HD12 ' HE3' ' A' ' 21' ' ' TRP . 16.7 pt -140.06 161.59 54.87 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.664 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.694 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 39.1 Cg_endo -65.92 153.64 77.29 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.946 2.431 . . . . 0.0 112.933 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -65.76 -27.74 68.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.028 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.604 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -53.88 -40.28 66.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.617 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.828 ' HE3' HD12 ' A' ' 17' ' ' ILE . 9.9 m0 -73.77 -40.6 63.34 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.445 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.85 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -56.17 -45.0 79.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.242 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.53 -53.49 56.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.895 0.379 . . . . 0.0 111.222 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.6 mpt_? -74.98 -38.91 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.217 -173.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.9 -44.91 88.05 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.838 -0.165 . . . . 0.0 110.876 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 95.4 mmm -67.75 -25.95 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.17 -48.47 73.37 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.72 -29.79 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.006 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -29.34 70.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.948 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.78 -38.43 54.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.028 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -44.9 96.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.961 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -96.01 -4.67 42.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.21 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 59.42 45.88 13.13 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.468 0.652 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.9 mt -133.85 169.14 17.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.786 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -103.61 159.55 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.788 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' B' ' 13' ' ' LEU . 2.7 pt? -58.69 -36.27 73.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.736 0.303 . . . . 0.0 110.534 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.773 ' HB3' HG23 ' B' ' 15' ' ' VAL . 13.8 m -56.29 -43.89 79.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.596 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 47.2 m-20 -63.88 -40.91 97.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.987 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -39.03 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.336 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' CB ' ' SG ' ' B' ' 40' ' ' CYS . 31.1 m -70.73 -53.61 14.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.789 ' HG2' ' CG1' ' B' ' 15' ' ' VAL . 7.3 ppt_? -57.17 -37.21 71.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.121 -0.362 . . . . 0.0 111.508 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.85 -31.13 71.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 110.065 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.76 62.43 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.871 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 73.0 mt -66.23 -43.7 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.29 -37.28 77.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.154 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.573 ' OE1' ' NE2' ' B' ' 51' ' ' HIS . 8.6 tp10 -68.66 -42.49 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.39 177.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -62.54 -48.67 78.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.636 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 48.8 mt -67.35 -58.09 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.368 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.04 -31.69 73.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.493 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.0 -174.625 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.697 -0.161 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.85 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 16.9 mm -125.72 155.89 35.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.429 ' HZ3' ' HA3' ' A' ' 14' ' ' GLY . 41.6 tptt -99.74 131.97 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.136 0.493 . . . . 0.0 110.688 -175.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -133.93 161.73 33.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.465 178.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -144.26 146.26 16.61 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.32 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.789 ' CG1' ' HG2' ' A' ' 41' ' ' ARG . 3.2 t -130.4 165.93 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -127.02 121.9 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 24.2 pt -138.17 152.26 71.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.1 157.81 19.74 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.508 2.805 . . . . 0.0 113.235 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.41 -22.6 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.036 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.661 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 24.9 mm-40 -55.19 -39.9 70.11 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.636 0.731 . . . . 0.0 109.599 173.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.48 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 11.4 m0 -74.41 -50.53 18.14 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.004 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.648 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 24.3 m-70 -55.95 -50.21 71.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.503 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.14 -50.89 72.31 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.967 0.413 . . . . 0.0 111.748 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.661 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.5 mpt_? -73.13 -36.87 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.722 -174.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.17 -34.0 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.266 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 80.4 mmm -60.95 -40.95 95.23 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.549 0.214 . . . . 0.0 110.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.5 tt0 -64.38 -44.65 90.67 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.511 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.16 -35.06 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.516 0.674 . . . . 0.0 109.814 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.2 -32.32 72.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.879 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 26' ' ' MET . 91.8 mttt -81.36 -33.57 32.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.361 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 48.9 mt-10 -61.6 -53.66 53.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.603 178.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.55 -2.03 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.76 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 65.17 54.41 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.48 0.657 . . . . 0.0 111.018 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.3 mt -134.21 167.83 19.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.417 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.424 ' O ' HG22 ' B' ' 39' ' ' VAL . 71.3 p -108.28 165.82 11.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.062 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.572 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 2.0 pt? -56.99 -35.71 69.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 1.13 ' HA ' HG21 ' A' ' 15' ' ' VAL . 13.6 m -58.98 -47.34 85.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.546 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.2 m-20 -62.99 -49.07 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.454 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 35' ' ' THR . 94.6 t -61.76 -36.54 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.133 -176.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.442 ' SG ' ' CB ' ' A' ' 40' ' ' CYS . 1.4 t -64.67 -53.53 46.05 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.704 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 2.7 ppt_? -67.63 -35.53 79.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 95.1 mt -69.62 -23.95 63.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.451 0.643 . . . . 0.0 109.877 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.81 -39.07 66.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.01 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.688 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 21.0 pt -70.22 -28.59 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.225 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.08 -40.75 86.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.391 0.615 . . . . 0.0 109.634 172.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -71.36 -38.56 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.715 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -63.71 -41.44 98.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.184 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 80.4 mt -66.99 -38.64 86.39 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.694 0.283 . . . . 0.0 111.746 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.53 -40.12 43.73 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . 0.573 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 45.6 m-70 . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.49 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 32.9 mm . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.24 125.71 44.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.238 0.542 . . . . 0.0 110.895 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.547 HD23 HG12 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -132.8 166.41 22.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.898 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.27 131.36 4.83 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.019 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' B' ' 37' ' ' SER . 14.2 t -108.75 159.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 117.68 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.908 HD13 ' HE3' ' A' ' 21' ' ' TRP . 23.4 pt -138.7 163.71 44.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.104 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.84 150.16 84.62 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.113 2.542 . . . . 0.0 112.959 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.79 -32.28 67.39 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.977 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.628 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 7.8 mm-40 -55.72 -41.99 74.67 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.362 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.908 ' HE3' HD13 ' A' ' 17' ' ' ILE . 45.0 m0 -76.25 -49.75 16.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.704 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 11.8 t-80 -53.81 -39.26 65.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.792 0.683 . . . . 0.0 110.643 -177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.93 -52.4 63.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.401 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 8.6 mpt_? -74.73 -27.97 60.58 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.682 ' HB3' HD21 ' A' ' 36' ' ' LEU . 77.4 mt -63.97 -41.3 97.58 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.488 ' HE1' HD11 ' A' ' 36' ' ' LEU . 16.2 mmt -62.23 -39.41 92.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.99 -46.72 83.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.04 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.62 -36.65 76.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.154 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -63.86 -26.55 68.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.0 mttm -79.36 -48.29 14.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.253 0.549 . . . . 0.0 109.825 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -41.68 97.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.565 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -94.94 -9.04 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.15 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.39 36.43 17.4 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.268 0.556 . . . . 0.0 111.653 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 96.0 mt -109.26 165.93 11.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 39' ' ' VAL . 68.2 p -106.17 159.44 16.09 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD21 ' HB3' ' A' ' 25' ' ' LEU . 19.2 mt -60.61 -32.47 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.098 0.475 . . . . 0.0 110.314 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.996 ' HA ' HG21 ' B' ' 15' ' ' VAL . 2.9 m -56.87 -46.93 81.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.505 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 62.7 m-20 -63.71 -42.77 97.9 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.328 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 35' ' ' THR . 66.7 t -61.44 -47.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.879 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.614 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 0.6 OUTLIER -67.63 -50.27 58.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.702 -176.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.926 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.9 tmm_? -49.01 -54.19 16.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.109 0.563 . . . . 0.0 111.825 170.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -65.46 -21.62 66.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.048 0.452 . . . . 0.0 110.397 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' HB2' ' B' ' 43' ' ' ALA . . . -71.36 -35.33 71.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 14.2 mt -67.8 -34.95 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.11 -42.76 81.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.269 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.02 -36.47 75.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.602 0.715 . . . . 0.0 109.602 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.39 -46.96 84.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.446 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 85.4 mt -63.96 -46.88 82.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.672 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.83 -42.57 99.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.747 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.141 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.042 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.704 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 4.7 mm -120.29 163.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -171.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -99.37 143.07 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.734 -173.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.477 ' N ' HD21 ' B' ' 13' ' ' LEU . 0.8 OUTLIER -141.77 119.75 12.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.926 175.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.35 116.96 5.66 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.41 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.996 HG21 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -105.32 149.6 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.569 0.223 . . . . 0.0 110.636 -175.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.12 129.04 55.48 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 169.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.588 HD13 ' HE3' ' B' ' 21' ' ' TRP . 29.9 pt -137.89 147.31 56.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.756 0.313 . . . . 0.0 110.615 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.53 169.98 8.96 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.796 2.997 . . . . 0.0 114.238 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -66.94 -38.69 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.813 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.69 -29.55 59.57 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.474 0.654 . . . . 0.0 110.707 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.926 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 6.3 m0 -76.5 -48.88 18.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.814 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.725 ' O ' ' HB2' ' B' ' 26' ' ' MET . 28.7 m-70 -58.38 -35.97 72.8 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.16 -63.89 1.1 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.196 0.522 . . . . 0.0 111.323 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -75.55 -39.08 58.72 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.574 -0.45 . . . . 0.0 112.187 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.6 mt -66.02 -39.25 90.07 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.725 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.7 mmt -64.88 -33.63 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.43 -44.09 95.55 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.837 174.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.75 -37.03 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.907 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -60.49 -40.05 89.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.209 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 26' ' ' MET . 64.0 mttm -79.52 -38.5 34.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 0.0 110.214 -176.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.88 -44.33 90.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.445 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -95.57 -1.91 49.49 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 68.59 53.32 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.416 0.627 . . . . 0.0 110.958 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 92.9 mt -136.62 167.44 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.033 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.518 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 30.8 p -111.51 165.39 12.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.525 HD11 HD13 ' A' ' 13' ' ' LEU . 2.7 pt? -58.38 -43.95 88.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.929 0.331 . . . . 0.0 110.471 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.54 ' HB3' HG21 ' A' ' 15' ' ' VAL . 19.6 m -60.17 -42.62 95.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 4.6 m-20 -63.65 -42.21 98.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 35' ' ' THR . 86.4 t -63.98 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.654 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.614 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 2.7 t -64.81 -50.19 67.7 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.396 0.617 . . . . 0.0 109.764 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.726 ' HG3' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -53.88 -44.19 70.24 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.297 171.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.7 mt -67.25 -24.57 65.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.464 0.65 . . . . 0.0 110.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' C ' ' A' ' 43' ' ' ALA . . . -73.8 -35.16 64.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.384 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 41' ' ' ARG . 33.1 pt -71.55 -29.78 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.848 177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -59.15 -44.67 92.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.543 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.11 -28.89 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.105 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' B' ' 51' ' ' HIS . 57.3 t80 -63.3 -45.49 91.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.573 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 65.4 mt -65.87 -49.7 67.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.646 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.0 -46.18 91.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.93 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.79 -27.26 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' B' ' 47' ' ' TYR . 5.9 m-70 . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.313 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 28.5 mm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.558 0.218 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 50.1 tptt -101.07 121.37 41.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.829 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' HA2' ' B' ' 14' ' ' GLY . 0.2 OUTLIER -120.19 132.74 55.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.353 -179.028 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.05 135.73 12.47 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.966 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.668 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.2 t -125.77 165.62 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.18 121.76 21.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 110.687 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.592 HD12 ' HE3' ' A' ' 21' ' ' TRP . 25.3 pt -142.68 153.58 61.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.255 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.93 151.73 47.58 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.027 2.484 . . . . 0.0 113.047 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -56.21 -46.27 79.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -59.07 -26.34 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.645 0.26 . . . . 0.0 111.694 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.676 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 0.1 OUTLIER -83.46 -44.04 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' HD2' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -51.53 -51.66 53.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.459 0.647 . . . . 0.0 110.435 171.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 34.2 t70 -62.06 -42.99 99.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.119 -173.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 5.7 mpt_? -76.38 -27.11 56.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.932 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 21' ' ' TRP . 70.9 mt -64.03 -41.88 97.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 90.5 mmm -63.69 -34.51 78.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.792 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.7 mt-10 -63.14 -50.65 69.59 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 109.886 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.65 -35.09 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.051 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -63.21 -29.28 70.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.466 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 26' ' ' MET . 51.9 mtmt -80.11 -36.63 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.417 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.12 -48.47 78.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.494 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -91.69 -4.27 55.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.055 -170.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 61.75 52.03 3.67 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.534 0.683 . . . . 0.0 110.741 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 94.5 mt -134.91 168.56 18.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.267 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -104.99 164.74 11.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 37' ' ' SER . 4.0 pp -59.55 -34.36 72.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.613 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.82 ' HA ' HG22 ' B' ' 15' ' ' VAL . 16.8 m -58.68 -41.21 85.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.328 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.2 -45.4 84.94 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.365 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.57 -35.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.65 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.707 ' HG ' ' HB3' ' B' ' 40' ' ' CYS . 2.0 t -68.66 -55.77 10.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.659 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.02 -37.11 73.69 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.914 -0.491 . . . . 0.0 111.804 173.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.659 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 69.8 mt -67.29 -23.71 65.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.461 0.648 . . . . 0.0 109.41 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -72.95 -43.5 62.23 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.174 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.2 pt -69.22 -30.06 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.729 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.31 -41.08 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 109.875 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.66 -35.26 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.292 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.85 -45.6 93.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.094 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 84.5 mt -65.48 -50.8 63.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.47 -30.24 71.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.81 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.831 -179.104 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.412 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 31.2 mm -123.89 161.66 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.99 138.49 36.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.451 ' N ' HD22 ' B' ' 13' ' ' LEU . 1.3 pt? -142.24 163.86 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.718 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -150.31 126.15 2.1 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.007 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.82 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -109.03 153.18 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.468 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 m-85 -114.22 124.92 53.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.386 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.813 HD11 ' HE3' ' B' ' 21' ' ' TRP . 23.9 pt -136.09 157.89 74.84 Favored Pre-proline 0 C--O 1.236 0.368 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.455 176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.41 177.78 3.65 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.74 2.96 . . . . 0.0 115.347 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.583 ' HG3' ' H ' ' B' ' 20' ' ' GLU . 15.2 pt20 -61.02 -60.11 4.3 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.522 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.583 ' H ' ' HG3' ' B' ' 19' ' ' GLN . 22.4 mm-40 -59.53 -18.58 41.65 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.927 0.394 . . . . 0.0 111.96 -174.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.813 ' HE3' HD11 ' B' ' 17' ' ' ILE . 10.3 m0 -78.77 -57.22 3.87 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.412 ' O ' ' HG2' ' B' ' 26' ' ' MET . 44.7 t-80 -56.08 -43.12 77.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.508 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.32 -54.86 38.43 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.697 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mmt-85 -72.02 -35.6 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.278 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 -32.58 73.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.216 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 72.3 mmm -62.62 -41.1 98.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.985 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.8 mt-10 -61.95 -49.94 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.154 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.09 -31.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.464 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.275 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -79.52 -30.16 41.77 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.427 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 86.6 mt-10 -63.05 -49.1 75.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.815 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.445 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 10.9 mptt -95.42 -2.65 48.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.03 -174.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 66.08 46.4 2.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.388 0.613 . . . . 0.0 111.339 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 93.5 mt -131.41 166.76 20.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.172 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.418 ' O ' HG21 ' B' ' 39' ' ' VAL . 73.3 p -104.63 160.15 15.19 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.868 173.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -58.45 -35.07 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.101 0.477 . . . . 0.0 110.065 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.668 ' HB3' HG22 ' A' ' 15' ' ' VAL . 18.4 m -56.89 -44.82 82.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.526 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 69.4 m-20 -66.07 -48.67 70.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.383 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.418 HG21 ' O ' ' B' ' 35' ' ' THR . 58.9 t -59.56 -37.28 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.915 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.707 ' HB3' ' HG ' ' A' ' 40' ' ' CYS . 1.4 t -66.38 -59.03 4.06 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.704 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.676 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 17.6 ptt180 -59.66 -37.68 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 91.8 mt -68.8 -25.47 64.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.038 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -24.35 59.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.514 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.563 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 51.2 mt -67.83 -38.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' LEU . 59.4 tptt -57.96 -41.88 83.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.867 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.95 -36.53 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 109.508 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.9 -47.8 81.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.097 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.3 mt -66.34 -46.09 78.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.3 -50.13 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.886 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.49 -14.12 57.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.327 -0.373 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.541 179.554 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -100.87 121.37 41.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.206 0.527 . . . . 0.0 110.17 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.68 HD21 ' HE2' ' B' ' 22' ' ' HIS . 0.2 OUTLIER -125.31 164.15 20.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.9 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.429 ' HA3' ' NZ ' ' B' ' 12' ' ' LYS . . . -145.61 136.28 6.37 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.424 -175.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 16' ' ' TYR . 3.3 t -118.6 165.54 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' B' ' 11' ' ' ILE . 4.6 m-85 -128.04 110.68 12.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.95 0.405 . . . . 0.0 110.309 171.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG12 HD21 ' B' ' 13' ' ' LEU . 32.1 pt -121.71 147.12 47.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.444 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.37 174.62 8.9 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.799 2.333 . . . . 0.0 113.823 -173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 1.6 tp-100 -50.51 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.399 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 33.4 mt-10 -49.34 -26.6 3.24 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.758 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -81.24 -53.36 6.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -176.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.36 -42.14 98.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.88 -52.78 61.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.452 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -73.5 -35.22 65.6 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.624 -175.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 25' ' ' LEU . 21.9 mt -64.11 -48.19 77.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.349 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.583 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 86.5 mmm -64.49 -30.6 71.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -66.18 -50.81 62.61 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.242 0.544 . . . . 0.0 110.088 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.63 -34.47 65.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.411 0.624 . . . . 0.0 109.441 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.37 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.642 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 26' ' ' MET . 55.8 mttp -77.22 -49.71 14.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -35.96 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.254 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -91.58 -10.97 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.667 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 57.0 51.35 10.68 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.787 0.803 . . . . 0.0 109.901 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.607 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.0 mt -130.09 167.22 18.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.186 -178.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 p -104.22 155.18 18.94 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -61.79 -24.66 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.008 ' HA ' HG23 ' B' ' 15' ' ' VAL . 23.0 m -60.41 -47.34 86.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.967 169.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 31.6 m-20 -61.71 -50.34 72.83 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.57 -32.5 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.056 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 40' ' ' CYS . 2.2 t -70.46 -54.09 13.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.966 0.413 . . . . 0.0 111.274 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.949 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.1 OUTLIER -66.21 -31.91 73.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.108 -0.37 . . . . 0.0 111.87 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.5 -18.45 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' O ' ' HB2' ' B' ' 43' ' ' ALA . . . -71.75 -46.58 58.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.271 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.857 HG22 ' HA ' ' B' ' 40' ' ' CYS . 5.2 pt -69.4 -29.32 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.074 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 12.8 tmtt? -60.17 -44.82 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 172.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -68.73 -33.86 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.34 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -62.68 -46.7 86.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.679 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 79.8 mt -66.67 -44.93 80.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.86 -39.96 86.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.479 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.619 -178.093 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.853 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.695 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 24.2 mm -108.84 151.65 11.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.665 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 56.0 tptt -100.39 126.05 46.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.541 0.686 . . . . 0.0 111.156 -172.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.667 HD21 HG12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -133.13 159.85 38.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.772 178.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 119.01 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.034 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 1.008 HG23 ' HA ' ' A' ' 37' ' ' SER . 25.0 t -108.13 145.17 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.48 0.181 . . . . 0.0 110.955 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.27 126.0 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.423 171.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.943 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 18.6 pt -140.77 155.91 69.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.775 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.27 156.83 23.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.564 2.843 . . . . 0.0 113.93 -177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.807 HE21 ' HA ' ' B' ' 19' ' ' GLN . 0.0 OUTLIER -66.19 -35.71 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.369 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.12 -34.88 61.42 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.749 0.785 . . . . 0.0 110.149 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.949 ' HZ3' ' HB2' ' A' ' 41' ' ' ARG . 38.3 m0 -76.74 -45.13 30.37 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.245 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.68 ' HE2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -56.15 -44.56 79.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 178.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.89 -51.24 66.6 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -73.15 -39.67 65.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.709 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.824 HD11 HD11 ' A' ' 44' ' ' ILE . 71.3 mt -66.19 -48.12 71.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 89.6 mmm -65.58 -25.51 67.44 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.039 0.447 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 5.0 tp10 -64.73 -49.84 69.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.93 -29.58 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.102 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.03 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 26' ' ' MET . 38.5 mttp -78.99 -40.01 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 28.8 mm-40 -60.64 -59.11 5.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.778 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -95.71 -2.44 47.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 65.89 55.18 0.97 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.679 0.752 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.45 166.17 15.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.438 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.436 ' O ' HG21 ' B' ' 39' ' ' VAL . 71.5 p -105.67 160.75 14.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.519 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 1.9 pt? -55.0 -42.56 72.67 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -43.2 91.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.503 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -63.25 -46.56 86.32 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.731 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.704 HG13 HD22 ' B' ' 25' ' ' LEU . 58.0 t -60.56 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 123.197 0.311 . . . . 0.0 111.493 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.857 ' HA ' HG22 ' A' ' 44' ' ' ILE . 17.6 m -65.91 -55.76 15.26 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.144 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.758 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 5.8 ppt_? -61.43 -30.71 70.74 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.73 -31.97 72.96 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.728 -0.607 . . . . 0.0 110.077 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -75.64 -21.47 57.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.657 176.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 53.9 mt -68.37 -39.29 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' B' ' 45' ' ' LYS . 13.2 tmtt? -56.33 -48.16 77.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.255 174.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -26.88 63.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.918 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -63.6 -49.96 71.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.3 mt -66.29 -45.08 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.912 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.97 -43.17 95.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.638 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -22.34 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.548 -176.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.624 179.29 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 C--O 1.235 0.304 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HD3' ' CZ ' ' B' ' 16' ' ' TYR . 23.3 tptm -100.11 123.4 44.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.525 . . . . 0.0 110.777 -175.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.6 OUTLIER -131.61 139.22 49.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.107 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.83 115.6 5.13 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.492 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.611 HG21 ' HA ' ' B' ' 37' ' ' SER . 40.3 t -104.56 134.44 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.708 0.29 . . . . 0.0 110.256 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -107.43 119.63 39.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 175.47 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.931 HD11 ' HE3' ' A' ' 21' ' ' TRP . 1.8 pt -136.41 149.73 68.51 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.381 178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.753 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 72.5 Cg_exo -52.1 144.93 35.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.42 2.747 . . . . 0.0 112.968 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.07 -24.29 65.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.435 -178.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 18.4 mt-10 -55.43 -36.57 66.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.688 0.756 . . . . 0.0 109.891 173.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.931 ' HE3' HD11 ' A' ' 17' ' ' ILE . 45.0 m0 -77.98 -35.69 49.83 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.288 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.873 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 18.3 m-70 -59.49 -45.45 91.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.656 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.67 -53.12 61.34 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 111.187 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -71.2 -45.8 62.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD11 HD12 ' B' ' 44' ' ' ILE . 78.2 mt -67.64 -37.86 83.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.549 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.4 mmm -64.36 -31.18 72.28 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.492 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.79 -43.92 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.425 0.631 . . . . 0.0 109.728 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.28 -36.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.877 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.37 -29.14 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.694 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 26' ' ' MET . 52.1 mttp -79.2 -32.92 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.57 -42.74 98.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.044 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.29 -7.27 39.25 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.22 57.27 2.99 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.956 0.884 . . . . 0.0 109.686 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.609 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 74.8 mt -138.73 168.48 19.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.955 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -103.5 144.3 31.59 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 HD11 HD11 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -59.13 -18.38 35.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 p -62.76 -49.23 75.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.413 171.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 15.4 t70 -66.77 -39.67 87.93 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.265 0.555 . . . . 0.0 109.875 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.38 -31.64 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.746 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 4.3 t -69.6 -48.42 60.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.748 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 5.1 ppt_? -62.73 -34.72 77.78 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.906 -0.497 . . . . 0.0 110.62 172.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 75.5 mt -64.3 -28.55 69.79 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.615 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.07 -30.47 65.16 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.837 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 32.1 mt -67.69 -42.0 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -58.3 -38.67 77.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.395 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.52 -36.82 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.426 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.449 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 83.0 mt -66.02 -49.54 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.35 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.85 -29.04 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.4 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.135 -179.693 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.873 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 26.6 mm -115.71 159.93 15.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 22.1 tptm -99.42 133.04 44.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.147 0.499 . . . . 0.0 111.723 -170.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.731 HD23 HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -134.77 132.51 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.254 174.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.48 123.5 7.71 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.989 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.432 HG12 ' HB3' ' A' ' 41' ' ' ARG . 10.5 t -113.99 152.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.729 0.299 . . . . 0.0 110.981 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.502 ' CZ ' ' HD3' ' A' ' 12' ' ' LYS . 11.1 m-85 -118.53 120.73 38.39 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.116 169.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.631 HD11 ' HE3' ' B' ' 21' ' ' TRP . 30.3 pt -129.56 144.22 52.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 51.2 Cg_exo -54.39 157.7 11.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.866 3.044 . . . . 0.0 113.869 -173.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -62.61 -31.88 72.79 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.626 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.98 -30.44 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.737 0.779 . . . . 0.0 109.97 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.748 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 7.8 m0 -79.04 -45.0 21.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.594 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' B' ' 26' ' ' MET . 22.2 t-80 -56.54 -37.18 70.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.864 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.9 -59.04 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.476 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -70.93 -49.56 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.821 -174.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.73 -47.92 76.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.512 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 97.0 mmm -67.01 -27.11 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.698 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' B' ' 27' ' ' GLU . 4.7 tp10 -65.15 -42.02 94.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.393 173.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.12 -31.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.73 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.68 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.424 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.47 -43.86 22.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 0.0 109.606 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.95 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.096 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -95.56 -1.88 49.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 64.79 56.06 1.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.683 0.754 . . . . 0.0 110.315 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -133.78 166.37 22.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.109 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.413 ' O ' HG23 ' B' ' 39' ' ' VAL . 44.7 p -104.51 159.85 15.41 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 172.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.3 pt? -59.03 -32.99 70.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.989 0.423 . . . . 0.0 110.145 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.611 ' HA ' HG21 ' A' ' 15' ' ' VAL . 20.1 m -59.0 -46.2 88.76 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.759 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 27.1 m-20 -63.3 -41.63 98.98 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.308 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 35' ' ' THR . 62.5 t -61.55 -36.15 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -65.47 -61.2 2.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.996 0.426 . . . . 0.0 110.243 -178.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.92 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 4.5 ppt_? -59.0 -33.02 70.23 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 77.2 mt -68.42 -27.36 66.13 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 109.787 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -37.42 65.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.671 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 25' ' ' LEU . 2.7 pt -69.54 -28.93 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.715 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -56.02 -48.63 75.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.245 0.545 . . . . 0.0 109.743 171.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.12 -31.47 69.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.741 0.781 . . . . 0.0 109.835 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.41 ' HB3' ' HA ' ' B' ' 44' ' ' ILE . 58.2 t80 -64.55 -42.42 95.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.429 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.0 mt -65.69 -46.07 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.387 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.26 -47.05 82.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -82.02 -19.73 39.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.356 -179.215 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mm . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -99.95 131.72 45.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.36 0.6 . . . . 0.0 111.488 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -127.16 136.61 52.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.503 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.43 118.22 5.88 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.037 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 25.6 t -108.22 144.61 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.64 121.45 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.525 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.662 HD11 ' HE3' ' A' ' 21' ' ' TRP . 30.1 pt -139.68 152.63 68.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.787 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 37.1 Cg_endo -64.91 168.21 14.16 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.335 2.69 . . . . 0.0 113.197 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 1.7 pt20 -72.88 -28.05 62.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.381 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.9 -39.37 74.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.015 0.912 . . . . 0.0 109.135 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' B' ' 44' ' ' ILE . 5.2 m0 -73.91 -43.91 56.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.257 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 1.4 m-70 -58.48 -42.25 87.09 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.267 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.75 -49.63 76.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.113 0.482 . . . . 0.0 110.966 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -71.74 -39.12 70.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.285 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 HD22 HD12 ' B' ' 44' ' ' ILE . 1.5 mm? -63.29 -48.76 76.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.13 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.519 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 21.4 mmt -62.21 -40.06 94.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.8 -45.81 73.72 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.567 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.53 -38.65 82.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 110.671 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.86 -44.63 96.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ1' ' HB3' ' A' ' 26' ' ' MET . 60.0 mttp -77.56 -26.32 50.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.308 0.575 . . . . 0.0 110.058 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.08 -42.78 99.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.558 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -95.51 -3.01 47.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.78 40.76 5.43 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.553 0.692 . . . . 0.0 111.11 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 92.5 mt -126.28 168.66 13.8 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.522 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -103.34 156.86 17.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -57.09 -32.93 66.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.575 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' HG21 ' B' ' 15' ' ' VAL . 9.3 m -56.36 -45.8 80.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.686 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 66.1 m-20 -64.15 -44.9 90.71 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.008 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.888 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 0.1 OUTLIER -68.78 -54.34 16.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.363 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.686 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.5 ppt_? -60.19 -34.3 73.42 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.917 -0.489 . . . . 0.0 111.983 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 87.8 mt -68.31 -29.79 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.315 0.578 . . . . 0.0 109.562 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.27 -28.16 62.94 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.55 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 63.5 mt -66.98 -37.59 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -59.95 -38.71 83.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.355 173.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.655 ' HG3' ' CD1' ' B' ' 47' ' ' TYR . 12.1 mm-40 -68.85 -35.7 77.25 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.518 0.675 . . . . 0.0 109.346 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -63.5 -45.47 90.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.797 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD21 HD11 ' B' ' 25' ' ' LEU . 84.3 mt -67.35 -38.95 85.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.909 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.77 -47.32 84.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.093 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.514 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.4 mm -104.85 154.93 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -98.02 123.58 42.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.62 0.724 . . . . 0.0 111.603 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.542 HD23 HG12 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -129.94 135.02 47.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.739 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 121.8 7.14 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.108 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.665 HG21 ' HA ' ' A' ' 37' ' ' SER . 50.7 t -104.39 154.53 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.47 126.67 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.525 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.705 HD11 ' HE3' ' B' ' 21' ' ' TRP . 27.1 pt -143.12 155.72 61.79 Favored Pre-proline 0 C--O 1.235 0.333 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.143 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.17 158.84 6.39 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.703 2.935 . . . . 0.0 113.508 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.507 ' HG3' ' OE2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -76.14 -31.74 58.75 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.126 179.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.507 ' OE2' ' HG3' ' B' ' 19' ' ' GLN . 2.1 pm0 -61.1 -23.97 65.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.298 171.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.705 ' HE3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -80.78 -42.77 21.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.428 176.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' B' ' 26' ' ' MET . 13.5 m-70 -59.76 -35.72 75.18 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.149 0.5 . . . . 0.0 109.845 174.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.81 -64.78 0.81 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.208 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 52.6 mmt-85 -73.35 -51.9 15.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.0 mm? -65.77 -40.25 91.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.396 -171.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.577 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -68.48 -29.55 68.19 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.276 178.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.69 -37.62 85.11 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.611 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.409 HD13 HD12 ' B' ' 25' ' ' LEU . 73.3 mt -65.81 -35.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.524 0.678 . . . . 0.0 109.265 174.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.31 -29.26 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.912 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 26' ' ' MET . 59.1 mttp -78.41 -39.66 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.752 ' HG3' ' HZ1' ' B' ' 32' ' ' LYS . 15.8 tp10 -61.61 -43.99 97.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.266 -1.333 . . . . 0.0 111.104 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -95.82 -2.95 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -176.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m120 64.97 44.76 3.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.512 0.672 . . . . 0.0 111.119 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -132.92 169.31 16.96 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.928 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.1 p -103.28 160.25 14.84 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -60.28 -32.91 71.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.804 0.335 . . . . 0.0 110.372 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -58.37 -41.55 85.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.45 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.616 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.5 m-20 -63.32 -48.78 76.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.051 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.05 -35.14 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.76 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.888 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.9 t -65.51 -56.1 14.19 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.97 0.414 . . . . 0.0 110.718 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.747 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 4.4 ppt_? -63.95 -37.3 86.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.6 mt -67.3 -23.97 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.565 -0.709 . . . . 0.0 109.92 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.43 69.55 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.757 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 33.6 pt -70.46 -26.19 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.421 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.67 -42.78 97.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.028 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.84 -35.4 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.715 0.769 . . . . 0.0 108.984 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 58.3 t80 -62.08 -45.47 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.348 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.6 mt -65.83 -47.83 73.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.606 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -63.08 -38.54 91.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.271 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.421 ' N ' HD21 ' B' ' 50' ' ' ASN . 0.9 OUTLIER -77.83 -34.34 51.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.021 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.513 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.895 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 4.7 mp . . . . . 0 C--O 1.234 0.249 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 4.8 tmmm? -100.53 127.89 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.403 0.62 . . . . 0.0 110.073 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.624 ' HB3' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -121.96 150.54 41.88 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.524 -175.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.46 111.26 3.97 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.623 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.706 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 34.7 t -103.71 141.36 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 121.74 39.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.328 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.746 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.3 pt -139.91 149.62 59.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.858 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 33.4 Cg_exo -59.05 160.17 19.52 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.717 2.945 . . . . 0.0 114.041 -175.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.753 ' HA ' ' CD1' ' B' ' 11' ' ' ILE . 19.8 pt20 -63.9 -30.09 71.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.433 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 27.3 mt-10 -56.53 -37.63 70.73 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.952 0.882 . . . . 0.0 109.501 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.746 ' HE3' HD12 ' A' ' 17' ' ' ILE . 13.9 m0 -77.57 -52.51 8.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.657 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CD2' HG23 ' B' ' 11' ' ' ILE . 36.3 t-80 -53.58 -44.81 69.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.44 -50.82 68.24 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.1 mpt_? -74.2 -35.79 63.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.897 0.379 . . . . 0.0 111.072 -174.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 3.6 mm? -66.49 -48.74 68.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.76 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.0 mmm -63.72 -27.07 68.96 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.79 -54.02 45.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.542 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.61 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.303 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.273 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -78.0 -32.77 51.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -49.89 74.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.937 176.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -87.33 -5.2 58.98 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.87 45.55 3.22 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.241 0.543 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 94.0 mt -129.33 166.5 19.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.597 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 75.1 p -104.83 157.07 17.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -59.82 -27.71 66.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.353 . . . . 0.0 110.226 174.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.033 ' HA ' HG21 ' B' ' 15' ' ' VAL . 14.2 m -60.14 -48.37 81.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 170.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.513 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 36.3 m-20 -63.71 -47.7 80.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 35' ' ' THR . 56.4 t -63.85 -28.9 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.1 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 t -69.87 -51.2 35.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.523 ' HB2' ' CZ3' ' B' ' 21' ' ' TRP . 4.8 ppt_? -67.13 -31.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.975 -0.453 . . . . 0.0 111.292 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.52 -21.23 61.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.319 0.58 . . . . 0.0 110.259 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB3' HG12 ' B' ' 44' ' ' ILE . . . -70.17 -50.48 39.84 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.032 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.722 HG21 ' HA ' ' B' ' 40' ' ' CYS . 1.6 pt -70.01 -22.03 24.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -56.65 -49.71 74.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.14 0.495 . . . . 0.0 109.679 170.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.13 -36.17 72.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.91 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 72.5 t80 -61.19 -42.25 98.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.571 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 78.3 mt -63.8 -50.87 67.27 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.763 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -60.33 -36.88 78.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.424 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.858 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.753 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 3.7 mp -119.46 150.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.675 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -100.53 130.15 46.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 109.949 -176.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -128.86 139.85 51.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.599 -176.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.26 118.95 6.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 1.033 HG21 ' HA ' ' A' ' 37' ' ' SER . 37.2 t -110.7 146.02 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -109.44 124.87 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.736 HD12 ' HE3' ' B' ' 21' ' ' TRP . 25.1 pt -140.51 150.45 60.73 Favored Pre-proline 0 C--O 1.236 0.391 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.502 ' O ' ' HD2' ' B' ' 22' ' ' HIS . 36.4 Cg_exo -61.87 156.11 50.76 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.876 3.051 . . . . 0.0 113.582 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -72.07 -24.78 61.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.119 -176.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 2.2 mp0 -55.3 -33.45 63.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 173.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.736 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -79.12 -43.56 23.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.706 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.895 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 47.5 m-70 -55.46 -40.79 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.28 -65.76 0.62 Allowed 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -73.08 -48.75 33.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.721 -171.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.622 HD11 HD21 ' A' ' 48' ' ' LEU . 4.2 mm? -66.2 -45.13 81.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.607 -174.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.669 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 81.7 mmm -66.12 -30.52 71.03 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.923 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.07 -38.16 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.401 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.39 -37.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.556 175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.86 -25.51 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.525 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 26' ' ' MET . 33.3 mmtp -77.77 -43.14 31.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -46.33 89.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -92.12 -2.05 56.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.67 51.98 0.78 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.203 0.525 . . . . 0.0 111.545 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.489 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.3 mt -134.69 167.18 21.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.905 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 39' ' ' VAL . 80.1 p -104.64 164.22 11.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 169.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.648 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 2.2 pt? -56.36 -39.89 73.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 14.6 m -56.26 -43.52 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.608 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 58.4 m-20 -64.05 -45.6 88.1 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 35' ' ' THR . 57.2 t -61.91 -42.42 94.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -175.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.722 ' HA ' HG21 ' A' ' 44' ' ' ILE . 24.8 m -63.7 -57.28 10.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.608 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.4 ppt_? -62.01 -33.72 74.87 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.36 -31.98 73.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.376 0.608 . . . . 0.0 109.75 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.91 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -73.16 -22.22 60.54 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.434 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 65.6 mt -67.27 -42.04 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.19 -40.48 81.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.039 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.09 -38.42 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.4 0.619 . . . . 0.0 109.957 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -62.14 -43.69 98.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.936 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 62.0 mt -69.44 -56.44 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.731 176.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -63.9 -13.83 48.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.514 -172.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -68.56 -58.13 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.481 179.736 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -100.69 122.32 43.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.702 HD13 HD13 ' B' ' 36' ' ' LEU . 1.3 pt? -133.59 133.72 42.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.936 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.568 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -103.7 129.93 10.05 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.92 175.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' B' ' 37' ' ' SER . 43.9 t -112.47 152.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -116.52 120.66 39.43 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.568 0.223 . . . . 0.0 110.728 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.866 HD13 ' HE3' ' A' ' 21' ' ' TRP . 6.7 pt -140.63 156.04 69.31 Favored Pre-proline 0 C--N 1.32 -0.688 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.714 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.79 145.9 47.93 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.336 2.69 . . . . 0.0 112.705 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -75.3 -11.78 60.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.798 -178.14 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.8 mt-10 -53.91 -42.18 68.46 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.862 0.839 . . . . 0.0 109.008 169.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.866 ' HE3' HD13 ' A' ' 17' ' ' ILE . 36.7 m0 -80.64 -34.66 34.76 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.078 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 1.25 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 42.2 m-70 -56.54 -38.14 71.46 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.904 175.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.55 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.04 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 12.0 mpt_? -73.03 -44.82 60.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.782 -172.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 HD12 ' B' ' 44' ' ' ILE . 66.4 mt -63.49 -47.21 82.68 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.265 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.477 ' SD ' HD22 ' A' ' 36' ' ' LEU . 88.1 mmm -67.43 -29.23 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.679 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.53 -49.31 66.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.076 0.465 . . . . 0.0 109.837 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 24' ' ' ARG . 66.1 mt -62.23 -35.65 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 109.755 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.08 -28.39 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -75.57 -45.21 39.13 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.32 -37.63 88.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.381 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.69 -5.49 42.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -174.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.35 43.07 2.79 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.778 0.799 . . . . 0.0 111.092 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.633 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.6 mt -128.54 170.05 13.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.392 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -109.15 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.963 168.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.98 -37.21 76.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.338 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' B' ' 15' ' ' VAL . 20.1 m -57.22 -43.78 83.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.505 176.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.586 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 44.8 m-20 -62.77 -51.17 68.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.4 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.09 -35.47 68.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.022 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.673 ' HA ' ' CG2' ' B' ' 44' ' ' ILE . 3.7 t -71.19 -53.55 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.518 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.667 ' HB3' HG12 ' B' ' 15' ' ' VAL . 6.4 ppt_? -61.48 -37.89 85.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.749 -0.595 . . . . 0.0 111.493 173.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.76 -23.71 66.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 121.664 -0.647 . . . . 0.0 109.909 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB3' HG22 ' B' ' 44' ' ' ILE . . . -71.78 -33.43 68.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.725 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.633 ' CG1' ' HA ' ' B' ' 40' ' ' CYS . 47.2 mt -67.01 -42.67 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.38 -41.97 86.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.133 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' CB ' ' HD1' ' B' ' 47' ' ' TYR . 4.2 tp10 -70.58 -34.6 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' B' ' 43' ' ' ALA . 59.0 t80 -63.89 -48.66 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.249 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.9 mt -67.88 -54.46 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.534 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.9 -32.99 72.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.371 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.902 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 1.25 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 34.8 mm -114.78 159.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -171.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.568 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -99.22 122.65 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.443 0.464 . . . . 0.0 110.068 -171.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.775 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -125.6 135.6 52.37 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.081 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.411 ' C ' ' HG ' ' A' ' 37' ' ' SER . . . -103.25 120.79 6.89 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.31 -177.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 41' ' ' ARG . 14.9 t -107.31 158.77 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.05 116.6 14.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' B' ' 21' ' ' TRP . 31.5 pt -140.55 150.37 60.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.957 -175.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.481 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 19.4 Cg_endo -61.45 163.78 16.98 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.926 2.417 . . . . 0.0 113.439 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -66.51 -31.77 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.676 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.53 -35.99 54.57 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.988 0.899 . . . . 0.0 109.89 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.524 ' HB3' HD13 ' B' ' 17' ' ' ILE . 2.6 m95 -75.89 -56.7 4.42 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.18 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.568 ' O ' ' HG2' ' B' ' 26' ' ' MET . 28.3 t-80 -54.87 -43.08 72.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.53 -51.6 69.17 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -71.73 -35.25 70.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 65.8 mt -65.52 -40.25 92.77 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.969 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 91.0 mmm -62.57 -38.92 91.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.382 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.08 -44.72 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.083 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.03 -39.83 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.516 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -62.89 -34.81 78.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -78.23 -34.55 49.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.551 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.04 -46.67 83.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.285 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -2.65 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.05 50.53 1.43 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.49 0.662 . . . . 0.0 111.24 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 85.0 mt -135.59 168.36 19.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.82 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -104.43 164.91 11.41 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.042 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.702 HD13 HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.422 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.757 ' HA ' HG21 ' A' ' 15' ' ' VAL . 20.3 m -58.09 -39.9 79.77 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.279 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.572 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 69.2 m-20 -64.64 -44.12 91.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.411 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -35.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.732 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.633 ' HA ' ' CG1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -65.65 -64.75 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.821 0.344 . . . . 0.0 110.206 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.9 ppt_? -58.09 -33.83 69.5 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.68 -33.89 74.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.137 -0.977 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -72.6 -29.43 63.49 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.378 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.688 HG22 ' HB3' ' A' ' 43' ' ' ALA . 7.3 pt -72.42 -31.32 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.456 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -62.0 -34.66 76.59 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.478 173.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.84 -39.92 76.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.685 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.437 ' HD1' ' CB ' ' A' ' 46' ' ' GLU . 40.1 t80 -66.74 -45.15 79.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.248 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 78.6 mt -66.5 -45.65 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.445 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.65 -35.38 79.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.711 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' B' ' 47' ' ' TYR . 4.2 p30 -81.75 -15.48 54.17 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.76 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.593 177.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.429 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 13.0 mm . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -99.9 132.15 45.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.343 0.592 . . . . 0.0 111.167 -168.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -129.63 145.01 51.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.789 178.443 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.695 ' CA ' ' HE3' ' B' ' 12' ' ' LYS . . . -102.39 122.01 7.38 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.861 -177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.973 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 8.8 t -113.8 150.74 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.624 ' CZ ' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -133.11 117.62 17.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.695 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 31.0 pt -138.26 159.21 69.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.681 -176.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.695 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 36.9 Cg_endo -63.72 162.13 29.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.005 2.47 . . . . 0.0 113.463 -170.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.519 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 mm-40 -60.5 -30.39 69.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 0.7 OUTLIER -78.57 -45.2 22.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.862 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 42.5 m-70 -58.77 -44.87 90.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.555 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -57.93 -51.94 67.56 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.256 0.348 . . . . 0.0 111.723 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 52.6 mmt-85 -76.27 -40.3 52.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.952 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.61 -49.06 72.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.797 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.461 ' SD ' HD23 ' A' ' 36' ' ' LEU . 98.0 mmm -66.03 -25.59 67.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.71 0.29 . . . . 0.0 111.213 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.61 -47.87 68.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.822 177.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.86 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 109.207 173.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -64.18 -19.11 65.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.825 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 26' ' ' MET . 62.0 mttp -80.31 -45.86 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -62.41 -45.91 90.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.39 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -95.24 -7.54 38.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.435 -170.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 63.0 68.82 0.61 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.655 0.741 . . . . 0.0 110.905 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.668 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 93.4 mt -139.59 168.49 19.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.795 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 p -104.83 153.02 21.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD23 ' SD ' ' A' ' 26' ' ' MET . 2.5 pt? -57.78 -33.85 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.335 0.516 . . . . 0.0 110.298 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.79 ' HA ' HG23 ' B' ' 15' ' ' VAL . 5.7 m -56.07 -43.2 77.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.217 176.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 64.8 m-20 -62.77 -39.8 95.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.67 -36.08 75.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.281 -176.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.655 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 3.7 m -69.62 -51.36 35.7 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.13 0.49 . . . . 0.0 110.271 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.856 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -48.99 -48.11 43.67 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.298 170.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 93.6 mt -67.83 -30.43 69.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.458 . . . . 0.0 110.44 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 43' ' ' ALA . . . -71.34 -32.81 68.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.884 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.5 mt -65.43 -39.52 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -56.67 -47.19 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.904 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -71.07 -36.25 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -62.39 -44.0 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.488 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 81.7 mt -64.81 -37.59 88.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.264 0.554 . . . . 0.0 110.079 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.45 -43.56 97.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.534 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' ND2' ' OE2' ' B' ' 46' ' ' GLU . 63.5 m-20 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.705 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.913 0 CA-C-O 121.103 0.279 . . . . 0.0 113.006 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.862 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.2 mm -110.81 161.47 9.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.851 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 22.2 tptm -99.39 131.46 45.39 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 111.105 -173.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.973 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 1.1 pt? -135.4 166.27 23.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.62 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.49 127.56 2.87 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.58 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.79 HG23 ' HA ' ' A' ' 37' ' ' SER . 61.2 t -104.72 146.89 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.03 116.82 32.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.662 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.856 HG22 ' CG ' ' A' ' 41' ' ' ARG . 25.9 pt -139.63 149.78 60.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 177.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.83 151.37 20.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.436 2.757 . . . . 0.0 113.071 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.5 -25.33 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 21.7 mm-40 -59.11 -32.47 69.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.316 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 41' ' ' ARG . 13.3 m0 -75.52 -44.06 45.61 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.429 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.1 m-70 -51.18 -52.17 46.76 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.628 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.36 -49.44 77.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 67.6 mmt-85 -71.87 -46.33 58.26 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.456 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 39' ' ' VAL . 92.5 mt -66.42 -46.28 77.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.994 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.688 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 93.4 mmm -64.85 -24.66 67.61 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -67.16 -48.44 68.0 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.243 0.544 . . . . 0.0 109.826 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.52 -35.05 68.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.847 0.832 . . . . 0.0 108.807 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.96 -20.91 66.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.017 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.688 ' HG3' ' O ' ' B' ' 26' ' ' MET . 97.4 mttt -79.53 -43.76 22.47 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.623 ' HB2' ' HD2' ' B' ' 32' ' ' LYS . 46.9 mt-10 -60.22 -54.5 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 11.2 mptt -92.61 -1.57 56.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 t30 63.66 64.09 0.81 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.93 0.871 . . . . 0.0 110.189 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.738 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.3 mt -132.4 168.74 17.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.386 -177.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.1 p -114.12 162.29 16.68 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.78 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.4 pt? -61.2 -29.31 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.139 0.427 . . . . 0.0 110.154 173.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.469 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.53 -46.66 86.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.922 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.694 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 28.1 m-20 -65.17 -42.9 93.25 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.054 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.526 HG13 HD23 ' B' ' 25' ' ' LEU . 61.1 t -63.83 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.073 0.463 . . . . 0.0 110.683 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.655 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.94 -39.07 92.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.492 178.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.767 HH11 HD21 ' B' ' 42' ' ' LEU . 3.0 tmt_? -61.02 -45.47 94.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.247 172.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.767 HD21 HH11 ' B' ' 41' ' ' ARG . 79.8 mt -64.63 -29.39 70.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.299 0.571 . . . . 0.0 110.392 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -70.64 -46.58 63.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.399 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.598 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -67.65 -29.16 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.785 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.85 -45.34 92.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.536 ' OE2' ' ND2' ' A' ' 50' ' ' ASN . 33.1 tt0 -73.08 -31.86 64.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.477 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 63.3 t80 -59.96 -41.82 92.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.726 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.9 mt -65.39 -54.59 26.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.575 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.67 -26.19 68.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.156 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -73.94 -35.54 64.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.567 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 73.1 m-70 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -98.52 131.01 45.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 110.84 -171.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD21 ' CE1' ' B' ' 22' ' ' HIS . 0.9 OUTLIER -133.57 128.77 35.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.699 177.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.0 120.54 6.71 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.443 -0.885 . . . . 0.0 112.025 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' B' ' 37' ' ' SER . 40.4 t -109.01 146.63 14.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.56 127.89 55.86 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.653 HD13 ' HE3' ' A' ' 21' ' ' TRP . 21.0 pt -138.36 145.72 48.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 123.261 0.351 . . . . 0.0 110.588 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 27.7 Cg_exo -63.06 171.37 6.28 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.576 2.85 . . . . 0.0 114.569 -173.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.85 -44.11 94.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.105 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CD ' HH22 ' A' ' 24' ' ' ARG . 8.0 mm-40 -54.21 -29.52 46.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.49 0.662 . . . . 0.0 111.127 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.653 ' HE3' HD13 ' A' ' 17' ' ' ILE . 8.3 m0 -76.63 -56.81 4.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.615 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.939 ' CD2' HG22 ' B' ' 11' ' ' ILE . 40.2 t-80 -54.11 -36.15 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.71 -66.2 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.316 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -77.28 -38.74 50.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.3 -43.31 98.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.787 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.683 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 88.7 mmm -64.57 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.6 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.94 -41.75 90.9 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.862 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 24' ' ' ARG . 83.2 mt -61.96 -37.48 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.317 0.579 . . . . 0.0 109.663 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -64.16 -24.77 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.614 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 26' ' ' MET . 32.1 mmtp -75.24 -40.26 59.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.96 -39.22 94.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.367 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -95.43 -3.19 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.85 40.7 7.31 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.221 0.534 . . . . 0.0 111.047 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 94.1 mt -128.43 166.96 17.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.715 -177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.3 p -106.3 165.22 11.41 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -58.99 -36.32 74.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.818 0.342 . . . . 0.0 110.408 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.724 ' HA ' HG23 ' B' ' 15' ' ' VAL . 13.0 m -56.82 -42.05 78.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.541 174.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.528 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 25.2 m-20 -64.31 -52.08 60.28 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.774 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.15 -33.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.636 ' HA ' HD13 ' B' ' 44' ' ' ILE . 2.9 t -69.41 -56.58 7.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.233 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 3.5 ppt_? -62.97 -28.02 69.8 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.635 -0.665 . . . . 0.0 112.179 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 41' ' ' ARG . 67.9 mt -72.2 -23.36 61.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 109.854 173.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB3' HG12 ' B' ' 44' ' ' ILE . . . -69.94 -42.44 73.25 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.192 177.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.718 ' CG2' ' HA ' ' B' ' 40' ' ' CYS . 29.2 pt -70.29 -25.88 28.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.19 -46.56 88.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.409 0.624 . . . . 0.0 109.687 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.8 -32.46 69.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.933 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.646 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 73.7 t80 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.234 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 86.8 mt -65.71 -46.92 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -46.4 89.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.975 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -174.624 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.677 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.939 HG22 ' CD2' ' A' ' 22' ' ' HIS . 35.0 mm -107.19 142.28 20.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.22 117.45 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.146 0.498 . . . . 0.0 110.212 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.89 140.51 50.74 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.665 -178.124 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.33 115.76 5.23 Favored Glycine 0 N--CA 1.44 -1.076 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.792 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.724 HG23 ' HA ' ' A' ' 37' ' ' SER . 20.5 t -105.03 156.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -136.65 123.82 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.704 0.288 . . . . 0.0 111.008 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.542 ' HB ' ' HD2' ' B' ' 18' ' ' PRO . 17.3 pt -147.86 160.92 36.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.46 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 9.2 Cg_endo -50.61 147.31 17.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.565 2.843 . . . . 0.0 112.767 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.08 -30.24 68.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.194 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.563 ' HB3' ' NH2' ' B' ' 24' ' ' ARG . 38.7 mt-10 -54.62 -35.31 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.565 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -80.39 -32.31 37.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.438 ' CE1' HD21 ' A' ' 13' ' ' LEU . 18.0 m-70 -63.37 -46.95 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.063 174.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.89 -55.28 36.89 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.833 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.563 ' NH2' ' HB3' ' B' ' 20' ' ' GLU . 0.3 OUTLIER -75.07 -35.92 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.778 -175.132 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.618 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 3.5 mm? -66.56 -47.5 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.653 ' O ' ' HG2' ' B' ' 30' ' ' LYS . 71.3 mmm -62.81 -34.19 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.73 -41.2 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.486 ' O ' ' HD3' ' B' ' 32' ' ' LYS . 72.1 mt -63.41 -37.29 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.913 0.864 . . . . 0.0 108.749 172.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.19 -21.48 66.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.326 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 26' ' ' MET . 35.3 mmtp -75.35 -37.66 60.54 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -61.01 -37.78 83.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.331 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' B' ' 28' ' ' ILE . 13.2 mptt -92.17 -4.28 54.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.861 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.52 39.95 6.46 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.363 0.601 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 93.9 mt -133.81 168.74 18.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.892 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.7 p -103.57 163.93 11.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.408 HD23 ' SD ' ' B' ' 26' ' ' MET . 2.5 pt? -59.56 -32.32 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.37 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.596 ' HA ' HG23 ' A' ' 15' ' ' VAL . 18.1 m -57.34 -44.94 84.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.774 174.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.689 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 64.1 m-20 -64.75 -44.96 88.42 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.883 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.59 -32.28 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.566 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.718 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.67 -61.65 2.17 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.497 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.689 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 4.1 ppt_? -61.69 -34.71 76.23 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 67.8 mt -66.62 -30.84 71.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.554 -0.716 . . . . 0.0 110.289 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -71.94 -27.37 62.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.142 175.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 40' ' ' CYS . 17.6 mt -68.1 -40.74 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.64 -33.46 72.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.218 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -72.63 -39.98 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.469 0.652 . . . . 0.0 109.432 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.28 -45.27 94.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.691 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.64 -49.29 66.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.01 -31.65 70.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.499 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.28 -27.59 53.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.764 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 . . . . . 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.024 -174.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.239 0.516 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -100.74 114.72 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.704 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.781 HD11 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -110.78 165.82 11.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 -178.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.822 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -134.85 122.67 2.93 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.198 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.694 ' HA ' ' HB3' ' B' ' 37' ' ' SER . 13.8 t -105.56 163.78 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' HG11 ' A' ' 15' ' ' VAL . 7.6 m-85 -128.92 123.76 33.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.2 pt -139.41 148.15 55.41 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.291 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 37.5 Cg_endo -66.45 162.99 34.13 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 123.305 2.67 . . . . 0.0 113.308 -177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -17.79 64.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.536 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.44 -38.24 63.35 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.838 170.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.635 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 12.7 m0 -80.25 -41.24 25.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.811 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 26' ' ' MET . 7.1 m-70 -60.51 -55.55 32.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.026 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . 32.2 t70 -60.98 -58.11 9.79 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.146 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.539 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 1.8 mpt_? -77.85 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 39.8 mt -66.59 -40.91 89.11 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.449 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 79.7 mtp -70.48 -27.0 63.87 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.176 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.88 -43.38 93.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.213 0.53 . . . . 0.0 109.638 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.21 -34.82 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.739 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.07 68.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.153 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.9 mttm -78.18 -36.67 47.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.16 -38.8 90.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.313 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.53 -3.88 54.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.935 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 63.37 43.43 6.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.356 0.598 . . . . 0.0 111.956 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.29 165.79 24.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -107.28 161.71 14.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.346 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 13' ' ' LEU . 2.2 pt? -55.95 -42.92 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.88 0.309 . . . . 0.0 111.428 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 1.015 ' HA ' HG21 ' B' ' 15' ' ' VAL . 12.0 m -58.01 -43.8 86.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.706 0.289 . . . . 0.0 110.994 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.0 m-20 -65.01 -48.14 74.98 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.24 -37.27 79.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 t -67.37 -42.78 82.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -61.17 -46.79 89.07 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.302 0.641 . . . . 0.0 111.182 173.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 69.1 mt -67.41 -24.24 65.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.29 0.567 . . . . 0.0 109.749 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.36 67.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.097 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.59 ' HB ' ' CZ2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -66.52 -41.14 88.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.665 -178.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -63.24 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.475 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.68 -33.45 72.57 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' HB2' ' HB2' ' B' ' 43' ' ' ALA . 78.2 t80 -64.22 -44.82 90.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.27 -47.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.983 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -37.08 78.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.455 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -177.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 22' ' ' HIS . 12.5 mm -113.41 156.89 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.822 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 21.4 tptm -99.6 125.68 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 -177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.26 139.37 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.423 -177.069 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.708 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -103.56 118.98 6.2 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.522 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 1.015 HG21 ' HA ' ' A' ' 37' ' ' SER . 60.8 t -106.0 138.59 30.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.99 124.25 50.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -176.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.655 HG22 ' CG ' ' A' ' 41' ' ' ARG . 35.9 pt -141.8 153.33 64.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.347 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.577 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 75.0 Cg_exo -51.35 148.74 18.54 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.62 2.88 . . . . 0.0 113.493 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 20.3 pt20 -58.4 -45.07 89.07 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.632 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.58 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 54.4 mm-40 -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.433 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' HB ' ' A' ' 44' ' ' ILE . 7.8 t90 -82.87 -37.84 23.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -56.97 -45.72 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.254 172.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.29 -51.67 68.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.662 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.58 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.6 mpt_? -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.234 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' B' ' 25' ' ' LEU . 9.2 mt -62.85 -52.16 64.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.929 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' B' ' 29' ' ' ALA . 86.6 mtp -67.38 -25.32 65.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.45 -42.8 82.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.149 0.499 . . . . 0.0 109.768 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.78 -33.51 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 109.427 173.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.36 -20.54 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.314 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 26' ' ' MET . 51.0 mttm -76.92 -45.63 27.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -58.23 -41.41 84.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.347 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.25 -4.21 46.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 59.86 44.48 13.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.623 0.725 . . . . 0.0 110.725 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 94.1 mt -128.34 171.28 12.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.571 -175.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -101.62 152.55 20.67 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.781 ' HG ' HD11 ' A' ' 13' ' ' LEU . 2.6 pt? -59.88 -28.95 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.127 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.694 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 15.6 m -56.94 -45.39 82.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.546 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -64.77 -36.71 85.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.18 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.217 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.569 ' SG ' HD11 ' A' ' 44' ' ' ILE . 3.8 m -67.01 -49.17 66.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.043 0.449 . . . . 0.0 110.6 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.635 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -52.96 -47.63 67.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.298 0.639 . . . . 0.0 112.24 171.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.58 -28.31 68.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.401 0.62 . . . . 0.0 110.183 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -73.5 -26.7 61.01 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.131 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.569 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 12.7 mt -69.47 -40.71 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.95 -40.64 81.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.478 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.24 -40.44 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.087 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.88 -45.47 94.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.73 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.4 mt -64.28 -40.55 96.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.715 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.58 -54.77 38.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.083 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.18 -18.77 55.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.909 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.062 0.458 . . . . 0.0 110.674 178.444 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.839 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 25.2 mm . . . . . 0 C--O 1.24 0.587 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -101.43 132.4 47.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 111.125 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -131.88 165.46 23.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.705 -177.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.03 142.36 13.88 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.224 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.9 t -128.69 165.68 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -173.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' N ' HG12 ' A' ' 15' ' ' VAL . 5.0 m-85 -132.43 135.92 46.4 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 171.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' ' 22' ' ' HIS . 4.2 pt -154.04 149.98 21.75 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.532 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 16.4 Cg_exo -66.89 -178.72 1.39 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.413 2.742 . . . . 0.0 114.694 -171.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -56.55 -60.89 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.884 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.54 -11.41 10.97 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.473 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 5.2 m95 -79.75 -56.53 4.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.689 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.5 m-70 -59.42 -36.37 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.105 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.06 -56.2 25.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.713 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.22 -35.66 58.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD23 HG11 ' A' ' 39' ' ' VAL . 29.9 mt -62.6 -51.87 65.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.802 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.672 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 63.3 mtm -67.31 -28.13 67.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.94 -48.51 71.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 109.922 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.85 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -62.82 -24.08 67.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.64 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 26' ' ' MET . 88.6 mttt -79.4 -41.03 28.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG3' ' HD2' ' A' ' 32' ' ' LYS . 14.4 tp10 -61.91 -56.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.731 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HD2' ' HG3' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -93.27 -2.17 55.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 t30 64.88 67.54 0.54 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.195 0.998 . . . . 0.0 110.618 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 67.2 mt -134.27 166.96 21.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.401 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.3 p -104.29 164.25 11.86 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -58.76 -36.41 74.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.793 ' HA ' HG21 ' B' ' 15' ' ' VAL . 8.0 m -59.14 -39.98 84.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.849 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 m-20 -61.77 -42.63 99.24 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.251 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG11 HD23 ' A' ' 25' ' ' LEU . 50.9 t -62.65 -39.14 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -176.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' B' ' 44' ' ' ILE . 14.7 m -68.31 -56.86 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.83 0.347 . . . . 0.0 111.286 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.664 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.6 OUTLIER -58.1 -35.63 71.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 175.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 89.0 mt -71.31 -23.66 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.845 -0.535 . . . . 0.0 110.197 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -70.54 -46.82 62.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.717 HG23 ' HA ' ' B' ' 40' ' ' CYS . 2.9 pt -68.83 -25.24 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.486 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.76 -48.67 80.76 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.136 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.57 -25.18 60.25 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 109.697 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 69.3 t80 -62.78 -47.13 84.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.218 174.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 82.3 mt -67.71 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.449 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.34 -39.78 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.654 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.791 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.689 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 11.6 mm -122.04 148.33 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.974 0.387 . . . . 0.0 110.01 -173.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.25 126.82 46.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 110.974 -172.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.441 ' N ' HD21 ' B' ' 13' ' ' LEU . 1.1 pt? -133.62 167.24 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.627 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.89 125.19 2.32 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.865 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 37' ' ' SER . 41.3 t -107.58 145.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -113.83 120.9 42.34 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.768 HD13 ' HE3' ' B' ' 21' ' ' TRP . 30.7 pt -142.43 155.43 64.17 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.116 -175.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.404 ' O ' ' HD2' ' B' ' 22' ' ' HIS . 65.1 Cg_exo -53.46 150.82 25.7 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.883 3.055 . . . . 0.0 113.587 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 2.9 pt20 -68.44 -30.1 68.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.779 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 25.1 mt-10 -55.67 -34.3 64.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.843 0.83 . . . . 0.0 110.08 174.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.768 ' HE3' HD13 ' B' ' 17' ' ' ILE . 28.0 m0 -75.52 -42.93 51.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.7 -1.137 . . . . 0.0 109.46 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.839 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 33.0 m-70 -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.68 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.84 -51.82 68.01 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 120.93 0.395 . . . . 0.0 111.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.16 -42.16 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.015 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 44' ' ' ILE . 83.4 mt -66.07 -40.13 90.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.135 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.615 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 63.9 mtm -63.02 -37.92 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.69 -42.49 91.17 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.342 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.47 -34.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.552 0.691 . . . . 0.0 109.748 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.03 -28.84 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.465 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' B' ' 26' ' ' MET . 85.3 mttt -78.8 -33.24 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.23 -46.0 89.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.051 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -95.61 -4.83 43.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 59.12 45.51 14.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.751 0.786 . . . . 0.0 110.063 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 93.5 mt -133.99 170.89 14.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.269 -175.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -103.04 161.7 13.55 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.918 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.564 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.3 pt? -59.97 -29.08 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.643 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.4 m -57.76 -45.19 86.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.96 171.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 52.6 m-20 -65.98 -49.74 66.76 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.97 -33.9 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.728 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.717 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.9 t -65.89 -55.24 18.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.397 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 7.0 ppt_? -67.37 -27.51 67.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.2 -33.14 73.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.338 0.59 . . . . 0.0 109.847 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -73.43 -19.58 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.261 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.585 HD12 ' SG ' ' A' ' 40' ' ' CYS . 64.3 mt -67.56 -40.9 85.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -57.92 -39.48 78.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.746 174.537 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.58 -43.38 76.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.292 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.23 -38.99 85.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.041 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.3 mt -67.34 -51.32 53.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.825 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -62.84 -26.77 68.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.42 -36.15 68.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.419 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.525 -177.62 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.445 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 17.2 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 53.1 tptt -100.06 116.92 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD12 HD11 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -119.98 139.78 51.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.266 -179.027 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.01 120.02 6.52 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.103 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' B' ' 37' ' ' SER . 35.4 t -104.91 157.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.03 118.59 25.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.491 HD11 ' HD2' ' A' ' 22' ' ' HIS . 28.2 pt -130.62 145.73 58.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 51.1 Cg_exo -56.09 153.38 32.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.61 2.873 . . . . 0.0 112.08 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.57 -40.35 61.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.32 -35.57 80.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.502 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 1.115 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 26.8 t90 -83.0 -27.05 30.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.959 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.497 ' O ' ' HG3' ' A' ' 26' ' ' MET . 53.6 t-80 -63.91 -51.34 64.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.7 172.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.61 -43.22 97.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.074 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -72.73 -36.54 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.321 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.69 -31.69 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.542 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 86.1 mtp -64.98 -40.14 94.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.339 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.377 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.39 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.322 0.582 . . . . 0.0 109.696 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -64.62 -30.39 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.847 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.32 -37.0 60.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.403 0.62 . . . . 0.0 109.485 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -65.63 -42.72 91.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.322 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -2.6 47.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m120 66.2 53.19 1.07 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.582 0.706 . . . . 0.0 111.174 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 91.6 mt -134.37 167.67 20.31 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.276 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.0 p -103.95 165.61 10.93 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.1 pt? -56.24 -37.97 70.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 109.975 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.751 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.6 m -58.33 -44.1 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.722 174.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.3 m-20 -63.1 -50.0 72.22 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.89 -35.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.562 0.22 . . . . 0.0 111.117 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 3.6 t -68.28 -50.43 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.232 0.539 . . . . 0.0 110.198 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.991 ' HG3' HG23 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -55.53 -47.56 76.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 172.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.5 mt -68.02 -18.22 64.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.363 . . . . 0.0 110.28 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' B' ' 43' ' ' ALA . . . -70.43 -36.41 73.97 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.595 174.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.484 ' HB ' ' CZ3' ' B' ' 21' ' ' TRP . 20.6 mt -66.75 -40.61 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.19 -41.56 88.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.6 -33.8 71.45 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.669 0.747 . . . . 0.0 109.033 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.98 -48.63 78.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.625 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 77.1 mt -68.66 -46.51 68.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.011 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.85 -49.43 75.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.792 -173.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.145 -173.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.962 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mm -104.09 152.94 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -99.47 121.07 40.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.889 0.376 . . . . 0.0 110.589 -173.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.592 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -132.97 135.23 45.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.528 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.557 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -104.56 119.23 6.18 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.336 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' A' ' 37' ' ' SER . 42.0 t -103.92 152.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.445 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 4.2 m-85 -117.26 119.13 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.781 175.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.991 HG23 ' HG3' ' A' ' 41' ' ' ARG . 17.5 pt -135.23 147.7 63.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.535 ' HB2' ' HG2' ' B' ' 20' ' ' GLU . 17.9 Cg_endo -59.43 160.83 18.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.608 2.872 . . . . 0.0 113.145 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -30.32 70.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.028 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 18' ' ' PRO . 4.9 pt-20 -60.78 -26.11 67.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 111.028 175.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.709 ' HE3' HD13 ' B' ' 17' ' ' ILE . 8.2 m0 -78.78 -44.0 24.19 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' B' ' 26' ' ' MET . 14.5 m-70 -59.6 -36.54 76.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.785 0.326 . . . . 0.0 110.398 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.64 -60.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.48 -47.68 31.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.856 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.4 mm? -64.22 -52.64 57.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -175.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 87.0 mtp -66.69 -28.62 68.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.0 -40.88 87.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.232 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.49 -40.22 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.689 . . . . 0.0 109.633 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.34 -25.11 67.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.997 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.33 -40.23 51.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.404 0.621 . . . . 0.0 109.331 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.86 -44.41 93.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.973 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.05 -3.7 55.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.281 -173.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m120 64.39 48.18 2.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 86.9 mt -124.05 166.19 16.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.876 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -104.47 157.74 16.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 13' ' ' LEU . 2.4 pt? -59.88 -29.02 68.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.442 . . . . 0.0 109.914 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.627 ' HA ' HG23 ' A' ' 15' ' ' VAL . 16.6 m -58.74 -44.66 90.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.658 173.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 55.4 m-20 -63.62 -42.41 98.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.007 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.27 -39.65 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.0 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . 0.823 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -63.18 -57.98 8.71 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.945 0.402 . . . . 0.0 110.146 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 1.115 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.549 0.74 . . . . 0.0 112.169 173.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.4 mt -64.89 -28.52 69.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 0.0 110.571 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -73.73 -23.9 59.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.125 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.722 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 22.5 mt -70.53 -34.02 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.8 -41.78 91.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.975 173.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.42 -34.93 78.25 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.97 -41.97 93.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.655 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.71 -58.62 3.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.64 -29.84 68.31 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.56 -32.82 36.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.804 0.335 . . . . 0.0 111.234 -176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 . . . . . 0 C--N 1.327 -0.372 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.225 -179.252 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' LEU . 80.5 mtm180 52.17 67.13 4.29 Favored Pre-proline 0 N--CA 1.465 0.285 0 C-N-CA 122.713 0.405 . . . . 0.0 111.442 -175.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.52 -27.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.744 2.296 . . . . 0.0 111.75 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.03 168.15 25.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.982 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 tptt 64.3 -67.22 0.11 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.204 0.94 . . . . 0.0 112.698 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 93.6 mt -85.88 25.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.08 0.467 . . . . 0.0 111.774 -170.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.22 -40.61 12.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 46.09 49.75 12.13 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.908 0.755 . . . . 0.0 112.062 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.24 102.69 0.2 Allowed Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.198 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.611 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.3 mm -120.66 156.24 23.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' B' ' 16' ' ' TYR . 20.5 tptm -99.45 132.44 44.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 111.917 -168.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.3 135.26 47.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.519 175.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 109.22 3.44 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.7 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 12.7 t -104.08 146.68 11.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.655 0.264 . . . . 0.0 110.397 -174.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -127.55 120.0 27.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.219 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.713 HD12 ' HE3' ' A' ' 21' ' ' TRP . 26.3 pt -129.12 161.23 59.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.587 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.36 156.29 22.0 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.779 2.319 . . . . 0.0 112.886 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 8.4 mm-40 -60.22 -19.76 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.713 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -81.6 -51.63 8.03 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -58.2 -37.09 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.738 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.42 -56.52 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.235 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 67.8 mmt-85 -74.19 -34.29 63.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 110.489 -173.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.59 -46.82 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.572 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.9 mmm -65.86 -28.66 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.75 -52.27 57.89 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.334 0.588 . . . . 0.0 109.576 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.75 -32.88 57.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -27.55 69.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.552 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 26' ' ' MET . 34.3 mmtp -75.95 -37.1 58.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.69 -33.85 76.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.823 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.2 -4.39 42.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 62.23 38.89 13.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.148 0.975 . . . . 0.0 110.297 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 97.1 mt -130.77 169.87 15.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.598 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -104.85 161.66 13.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD23 ' SD ' ' A' ' 26' ' ' MET . 2.4 pt? -58.89 -31.32 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.052 0.387 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.587 ' HA ' HG21 ' B' ' 15' ' ' VAL . 19.0 m -56.81 -41.39 77.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.618 176.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 m-20 -66.44 -42.43 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.778 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.4 -36.11 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.933 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 1.6 t -65.78 -51.94 55.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.661 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 3.8 tmt_? -48.98 -46.37 43.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.589 169.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 95.6 mt -66.52 -25.9 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.408 . . . . 0.0 111.067 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' C ' ' B' ' 43' ' ' ALA . . . -70.25 -49.07 53.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.09 -177.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.8 pt -69.03 -28.53 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.813 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HD3' ' HZ2' ' B' ' 21' ' ' TRP . 26.2 tptp -59.31 -49.59 77.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.235 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.79 -25.74 59.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.525 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 71.0 t80 -61.78 -44.19 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.753 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 92.3 mt -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.58 -27.61 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.11 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -84.68 -41.72 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -89.2 -14.73 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -139.3 130.51 26.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.057 0.455 . . . . 0.0 109.864 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.38 -2.14 29.47 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -83.6 -47.92 10.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp 57.42 72.35 0.52 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.66 0.6 . . . . 0.0 111.002 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.838 -177.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' B' ' 7' ' ' LEU . 52.3 mtm180 62.52 74.46 0.47 Allowed Pre-proline 0 N--CA 1.466 0.348 0 C-N-CA 122.986 0.514 . . . . 0.0 110.779 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' B' ' 5' ' ' TYR . 10.4 Cg_exo -72.4 -51.44 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.784 2.323 . . . . 0.0 112.042 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.507 ' CD2' ' HB2' ' B' ' 4' ' ' PRO . 29.7 p90 -149.19 160.95 42.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.945 -176.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.2 tptt 69.59 -51.35 0.62 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.19 0.931 . . . . 0.0 111.999 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' B' ' 3' ' ' ARG . 98.5 mt -85.35 11.97 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.04 0.448 . . . . 0.0 111.73 -173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.43 -25.67 25.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 29.4 t30 48.09 58.27 5.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.944 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.31 105.45 0.25 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.928 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 35.4 mm -110.98 151.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -99.59 122.62 42.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.413 0.625 . . . . 0.0 110.952 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.7 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -131.03 132.12 44.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.155 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.7 120.83 6.85 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.54 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 37' ' ' SER . 48.1 t -104.76 151.54 7.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 11.4 m-85 -128.05 113.47 15.84 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.835 HD13 ' HE3' ' B' ' 21' ' ' TRP . 27.2 pt -133.61 155.41 80.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.35 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.8 158.1 34.82 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 123.679 2.919 . . . . 0.0 113.682 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.459 ' HA ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -70.34 -22.02 62.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.117 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 5.5 mm-40 -50.44 -44.12 55.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.53 0.681 . . . . 0.0 110.165 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.835 ' HE3' HD13 ' B' ' 17' ' ' ILE . 42.1 m0 -77.6 -33.74 53.67 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.38 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.611 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 21.6 m-70 -60.65 -38.43 84.83 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.536 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' HD3' ' B' ' 24' ' ' ARG . 10.2 t70 -60.48 -61.18 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.473 . . . . 0.0 110.835 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 13.9 mmt180 -72.46 -51.48 19.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -170.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.2 mm? -65.57 -44.84 85.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.375 -173.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 91.5 mmm -67.06 -30.46 70.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.028 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.28 -39.7 89.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.599 0.714 . . . . 0.0 109.704 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.14 -35.46 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.665 0.745 . . . . 0.0 109.063 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -64.92 -16.65 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.662 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 26' ' ' MET . 28.2 mmtp -78.29 -50.74 11.28 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 174.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.8 -37.95 80.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -91.67 -14.58 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.704 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.27 54.2 3.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.845 0.831 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 96.2 mt -135.22 168.92 18.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.632 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -103.99 156.22 18.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.531 HD13 HD11 ' B' ' 17' ' ' ILE . 2.7 pt? -60.31 -29.19 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.531 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.4 m -57.31 -42.16 81.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.271 174.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.576 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 38.5 m-20 -64.96 -47.06 78.96 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.708 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.54 -38.58 82.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.364 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.501 ' HA ' HG23 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.88 -51.73 63.2 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.417 0.627 . . . . 0.0 109.513 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.634 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.32 -49.35 67.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.919 0.888 . . . . 0.0 111.971 171.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 97.2 mt -64.28 -32.01 73.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.204 0.526 . . . . 0.0 110.429 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -73.37 -23.25 60.16 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.526 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 40.5 mt -68.54 -44.16 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -60.02 -33.71 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.169 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.55 -44.28 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.258 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.452 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 64.7 t80 -60.85 -40.23 92.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.272 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 88.5 mt -65.87 -50.47 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.78 -34.3 76.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -173.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -77.6 -24.69 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.146 -0.346 . . . . 0.0 111.763 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.452 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 66.3 m-70 -95.07 -49.81 5.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.522 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -110.39 137.5 48.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.708 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.32 24.46 12.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.67 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.38 -22.86 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 59.45 36.73 23.18 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.24 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.922 -179.344 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -108.57 102.08 45.91 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.899 0.35 . . . . 0.0 110.492 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 8' ' ' LEU . 71.9 Cg_endo -83.37 129.83 5.21 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.577 2.185 . . . . 0.0 112.296 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 14.6 p90 -79.9 -4.09 50.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 -176.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.675 ' NZ ' ' OE2' ' B' ' 20' ' ' GLU . 28.4 tptp -90.97 -32.4 15.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.329 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . 89.2 mt -94.0 -43.63 8.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 4' ' ' PRO . 3.8 mm? -96.77 83.49 3.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.073 0.463 . . . . 0.0 110.013 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 5' ' ' TYR . 30.0 t-20 -152.88 141.25 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.25 136.69 4.35 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.785 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.532 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 12.0 mm -120.06 152.56 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -99.99 130.57 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 111.512 -174.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.622 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.479 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.7 122.65 7.58 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.499 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.746 HG23 ' HB3' ' B' ' 37' ' ' SER . 6.4 t -112.26 163.68 8.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.63 128.16 30.62 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.944 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.501 ' O ' ' HA2' ' B' ' 10' ' ' GLY . 4.8 pt -150.81 153.64 33.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.942 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 40.7 Cg_exo -58.35 162.02 12.94 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.594 2.863 . . . . 0.0 113.567 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.962 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 20.7 pt20 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.464 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.631 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 1.6 pm0 -61.86 -19.7 62.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.519 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 8.4 m95 -79.19 -48.36 14.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 1.058 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -61.21 -33.97 74.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.73 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.09 -53.83 53.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.373 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -73.36 -30.71 63.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.839 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 36' ' ' LEU . 70.9 mt -63.81 -51.18 65.92 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.17 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.77 -56.72 14.95 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.293 0.568 . . . . 0.0 109.994 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.2 -42.91 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.68 -22.11 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.434 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 34.1 ttpt -78.3 -51.4 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.218 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.95 -38.98 93.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -93.16 -4.34 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -171.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 62.73 61.16 1.21 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 122.014 0.911 . . . . 0.0 110.043 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.3 mt -135.54 166.82 22.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 36' ' ' LEU . 1.3 m -109.78 158.47 18.11 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.97 -36.62 75.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.135 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.938 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.4 p -58.55 -43.11 89.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.639 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.5 m-20 -64.68 -45.47 86.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.85 -32.03 55.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.68 0.276 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.64 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 2.6 t -69.06 -56.13 8.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.804 0.335 . . . . 0.0 110.639 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.6 ppt_? -59.04 -35.58 73.56 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.987 -0.445 . . . . 0.0 112.165 173.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.1 mt -68.06 -23.28 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.661 -0.649 . . . . 0.0 109.545 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -72.53 -31.55 65.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.548 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.819 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 29.0 mm -64.61 -49.2 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.6 -36.17 73.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.553 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.626 ' HG2' ' CD2' ' B' ' 47' ' ' TYR . 5.7 tp10 -71.53 -39.05 70.98 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 63.0 t80 -62.93 -47.47 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.289 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.6 mt -66.28 -50.87 62.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.0 -40.18 90.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.434 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.99 -26.64 43.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.285 -173.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.547 ' HE2' ' CD ' ' B' ' 46' ' ' GLU . 50.8 m-70 -88.28 -58.27 2.62 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.431 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -95.89 77.52 3.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -70.39 -2.08 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.319 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.48 77.19 9.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.267 0.556 . . . . 0.0 110.347 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -82.08 -61.69 1.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.39 174.59 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -105.94 109.9 63.59 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.444 ' HB3' HD12 ' B' ' 7' ' ' LEU . 10.1 Cg_exo -71.29 83.1 1.01 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.851 2.367 . . . . 0.0 111.128 177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -82.58 -22.08 34.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.059 0.457 . . . . 0.0 110.322 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.631 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 19.7 tptp -100.28 -20.23 15.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.338 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' B' ' 4' ' ' PRO . 92.2 mt -88.31 -51.85 5.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.655 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.16 46.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.962 ' OD1' ' N ' ' A' ' 19' ' ' GLN . 22.5 t-20 -78.22 132.0 37.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.217 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . -163.13 121.76 1.04 Allowed Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.832 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 1.058 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 26.5 mm -104.76 149.96 7.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.13 128.86 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 0.0 110.276 -173.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.818 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -132.07 165.76 23.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.687 -177.585 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.68 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -140.31 122.11 2.11 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.243 -0.979 . . . . 0.0 111.987 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.938 HG22 ' HA ' ' A' ' 37' ' ' SER . 40.4 t -104.74 144.88 13.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.13 119.04 37.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.614 HD11 ' HE3' ' B' ' 21' ' ' TRP . 39.1 pt -142.11 154.67 64.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.43 170.2 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 124.105 3.203 . . . . 0.0 114.103 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -80.72 -36.51 32.02 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.715 -175.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.675 ' OE2' ' NZ ' ' A' ' 6' ' ' LYS . 3.9 pm0 -61.27 -21.74 64.2 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.435 0.635 . . . . 0.0 110.026 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.819 ' CH2' ' HB ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -79.6 -47.16 15.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.987 177.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.532 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-70 -57.98 -37.99 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.96 -55.51 33.97 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.29 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 12.3 mpt_? -74.96 -35.92 62.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.503 HD23 HD12 ' B' ' 28' ' ' ILE . 59.1 mt -67.95 -34.39 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.5 mtt -66.71 -33.32 75.39 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.041 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.61 -40.82 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.503 HD12 HD23 ' B' ' 25' ' ' LEU . 82.4 mt -65.91 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.59 174.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.023 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -84.1 -58.25 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.805 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' B' ' 32' ' ' LYS . 27.9 tt0 -62.3 -42.49 99.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.893 -173.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' B' ' 31' ' ' GLU . 2.5 mptp? -95.5 -8.33 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.153 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 61.27 53.71 3.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.725 0.774 . . . . 0.0 110.592 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -128.82 169.33 14.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.706 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -104.58 153.81 20.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.622 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -58.6 -33.54 70.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.004 0.431 . . . . 0.0 110.605 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.746 ' HB3' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -57.59 -40.6 79.41 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.927 173.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.554 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 48.9 m-20 -65.07 -50.29 66.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.66 -38.15 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.64 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -65.33 -60.43 2.99 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.762 0.315 . . . . 0.0 110.531 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.554 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 2.5 ppt_? -63.31 -33.61 75.89 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.457 ' N ' ' HD2' ' B' ' 41' ' ' ARG . 80.5 mt -68.05 -31.43 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.357 0.599 . . . . 0.0 109.696 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -71.3 -24.18 62.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.278 176.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.483 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 57.7 mt -66.96 -42.99 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -55.8 -48.7 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.547 ' CD ' ' HE2' ' A' ' 51' ' ' HIS . 38.9 tt0 -71.81 -27.58 63.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.077 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.626 ' CD2' ' HG2' ' A' ' 46' ' ' GLU . 62.9 t80 -62.03 -45.91 91.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.422 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 38.8 mt -69.6 -51.14 37.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.747 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' HE2' ' B' ' 55' ' ' LYS . 20.6 t70 -59.54 -38.43 81.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.403 -173.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -80.99 -19.28 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 49.4 m170 -86.19 -47.59 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.313 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -101.94 97.93 8.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.58 -6.62 59.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.129 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -89.76 109.13 20.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.413 ' HE2' ' OD1' ' B' ' 49' ' ' ASP . 20.1 mmmt -112.27 -55.95 2.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.534 0.683 . . . . 0.0 109.936 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.248 1.01 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.892 178.507 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -120.27 95.48 49.07 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.98 -14.7 16.87 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.368 2.045 . . . . 0.0 112.122 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 62.98 13.64 6.85 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.521 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.76 -50.96 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.876 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.0 tp 55.3 51.99 12.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.628 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.5 mt 59.1 33.23 22.76 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.843 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 56.08 53.79 8.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.885 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.35 134.58 3.36 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.158 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.47 140.23 48.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HB2' ' HE1' ' B' ' 16' ' ' TYR . 5.0 tppp? -100.32 130.02 46.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.322 0.582 . . . . 0.0 110.83 -171.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.669 HD11 ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.526 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.3 104.81 2.68 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.698 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' B' ' 37' ' ' SER . 13.1 t -104.23 158.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -132.57 133.71 44.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.297 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.7 pt -136.21 150.4 70.85 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.966 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 71.8 Cg_exo -51.73 147.44 24.46 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.453 2.769 . . . . 0.0 113.013 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.023 ' HG3' ' HA ' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -57.75 -56.23 24.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.96 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 13.5 mm-40 -58.43 -27.84 64.71 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.966 ' HE3' ' HD2' ' A' ' 18' ' ' PRO . 21.1 t90 -82.42 -37.2 25.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.533 ' O ' ' HG3' ' A' ' 26' ' ' MET . 59.2 t-80 -62.11 -40.07 94.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.801 172.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.786 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 27.1 t70 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.899 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 11.3 mpt_? -75.73 -27.91 58.34 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.754 0.312 . . . . 0.0 110.267 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.71 -36.33 83.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.268 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.786 ' HE1' ' HA ' ' A' ' 23' ' ' ASP . 61.1 mtm -64.56 -42.21 95.81 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.304 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.02 -46.12 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.01 -35.72 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.254 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -61.95 -38.19 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.396 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.45 -30.83 53.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 110.47 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.98 -41.38 97.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -95.72 -4.46 44.1 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 62.81 44.76 6.12 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.56 0.695 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 94.2 mt -130.83 168.95 16.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.238 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.6 p -103.26 159.25 15.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.643 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.4 pt? -59.12 -32.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.108 0.48 . . . . 0.0 110.119 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.826 ' HA ' HG21 ' B' ' 15' ' ' VAL . 12.3 m -57.48 -41.16 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.692 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.3 m-20 -64.75 -45.74 85.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.52 -31.73 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.794 ' HG ' ' HB3' ' B' ' 40' ' ' CYS . 4.9 t -68.38 -57.19 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.887 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.1 -29.95 70.06 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.021 -0.425 . . . . 0.0 112.114 174.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 70.5 mt -72.54 -22.23 61.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 110.495 174.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -71.02 -44.77 65.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.208 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.648 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 2.6 pt -69.64 -26.2 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.347 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.21 -40.88 95.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 5.7 tp10 -69.62 -37.69 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.681 0.753 . . . . 0.0 108.991 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -62.6 -49.95 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.549 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.7 mt -68.3 -59.39 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.06 -12.82 21.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.379 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.7 t-20 -74.02 -54.2 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.272 -0.268 . . . . 0.0 110.511 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -95.42 -15.4 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -137.34 71.79 1.41 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 0.0 111.321 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -76.57 -42.27 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.252 0.548 . . . . 0.0 109.607 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -91.31 116.27 28.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.609 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -98.78 63.88 1.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.562 0.696 . . . . 0.0 110.317 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.251 1.154 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.131 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.36 91.01 45.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -74.43 -6.27 18.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.831 2.354 . . . . 0.0 112.325 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 70.07 -48.41 0.63 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.889 0.876 . . . . 0.0 111.793 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 1.023 ' HA ' ' HG3' ' A' ' 19' ' ' GLN . 74.1 mmtt -85.56 -64.52 1.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -172.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.0 tp 55.89 65.37 1.47 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.488 0.492 . . . . 0.0 110.79 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.4 mt 65.94 16.87 10.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.723 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.976 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 39.4 m-80 55.91 59.58 3.7 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.232 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.21 108.8 0.37 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.598 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.516 HG23 ' CE1' ' A' ' 22' ' ' HIS . 22.1 mm -106.62 156.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.71 127.96 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 110.268 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.826 ' HB3' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -134.12 128.55 34.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.836 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.31 120.38 6.73 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.753 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.826 HG21 ' HA ' ' A' ' 37' ' ' SER . 46.4 t -103.4 155.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.422 ' HE1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -133.2 113.17 12.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.559 0.219 . . . . 0.0 110.563 -174.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' B' ' 18' ' ' PRO . 7.3 pt -141.94 145.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.519 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' B' ' 21' ' ' TRP . 4.6 Cg_exo -77.0 -175.14 2.49 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.807 3.005 . . . . 0.0 115.107 -169.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.646 ' HG2' ' N ' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -51.13 -55.72 16.36 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.466 -178.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.646 ' N ' ' HG2' ' B' ' 19' ' ' GLN . 6.2 mm-40 -48.27 -36.1 13.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.224 0.61 . . . . 0.0 111.897 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.491 ' CD1' ' HD2' ' B' ' 18' ' ' PRO . 16.4 m95 -74.98 -54.87 6.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.421 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' B' ' 26' ' ' MET . 15.3 m-70 -58.67 -39.95 82.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.132 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.84 -55.2 38.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 111.178 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.582 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 10.1 mpt_? -73.45 -37.18 65.92 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.453 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 68.8 mt -64.51 -45.39 87.44 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.731 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 57.8 mtm -63.13 -33.9 76.45 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.92 -48.44 80.41 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.025 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.35 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 0.0 109.672 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -63.94 -25.74 68.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.86 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.731 ' HG3' ' O ' ' B' ' 26' ' ' MET . 81.7 mttt -79.29 -45.73 19.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.4 -36.87 83.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.086 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.14 -4.16 46.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.35 39.66 18.47 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.152 0.501 . . . . 0.0 111.97 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.613 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 95.4 mt -120.1 167.12 12.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.114 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 79.7 p -106.95 150.28 26.62 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 166.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.669 ' CD1' HD11 ' A' ' 13' ' ' LEU . 3.5 pp -63.95 -23.25 67.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 -175.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.759 ' HB3' HG21 ' A' ' 15' ' ' VAL . 13.5 m -59.26 -47.36 85.64 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 109.84 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -63.9 -46.75 83.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.694 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.35 -34.06 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.794 ' HB3' ' HG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -64.13 -61.72 2.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.409 -179.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.729 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.74 -33.51 73.03 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.511 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 64.4 mt -67.27 -33.26 74.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.046 0.451 . . . . 0.0 110.111 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.436 ' C ' ' HB3' ' A' ' 43' ' ' ALA . . . -74.79 -21.16 59.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.091 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.935 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 49.3 mt -68.72 -39.93 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -56.72 -46.7 81.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.021 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' B' ' 49' ' ' ASP . 0.4 OUTLIER -70.88 -30.5 66.88 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 178.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -61.55 -44.39 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.282 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.7 mt -68.87 -44.12 73.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.853 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.444 ' HB3' ' HA ' ' B' ' 46' ' ' GLU . 38.2 t70 -61.3 -29.77 70.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.382 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -35.88 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.821 0.344 . . . . 0.0 110.892 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -93.49 -49.12 6.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.38 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -138.62 101.08 4.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.96 -20.67 28.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.338 0.589 . . . . 0.0 109.809 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -92.63 125.38 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.969 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -117.78 129.3 55.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.191 -177.297 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -129.82 80.9 70.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.685 0.243 . . . . 0.0 111.153 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' HB2' ' HD1' ' A' ' 5' ' ' TYR . 10.4 Cg_exo -71.99 -53.81 0.16 Allowed 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 122.616 2.211 . . . . 0.0 111.466 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.515 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 13.4 p90 -151.46 -37.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -135.25 -176.29 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.861 173.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.0 mt -89.6 67.23 7.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.904 0.383 . . . . 0.0 111.274 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.7 mt 55.1 26.57 8.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.643 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.611 ' CG ' ' HG2' ' B' ' 19' ' ' GLN . 11.9 t-20 58.3 29.12 17.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.9 145.31 10.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.79 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.864 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 26.9 mm -131.49 146.63 33.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.12 139.01 37.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 -172.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.915 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -127.86 154.25 45.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.294 0.568 . . . . 0.0 112.095 -172.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 118.79 6.01 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.134 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 16.4 t -112.24 161.73 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' HG22 ' A' ' 17' ' ' ILE . 30.2 m-85 -135.94 144.98 45.74 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.586 HD13 ' HB3' ' A' ' 21' ' ' TRP . 1.8 pt -155.94 149.79 19.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.388 170.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 89.1 Cg_exo -49.51 165.98 0.23 Allowed 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 124.021 3.147 . . . . 0.0 114.951 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -56.92 -42.82 80.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.752 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 37.0 mt-10 -57.06 -26.35 60.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.267 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.604 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 20.2 m95 -79.95 -45.03 19.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.202 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 14.2 m-70 -65.61 -43.22 90.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.4 -49.19 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.115 0.483 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 6.6 mpt_? -74.52 -41.61 60.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 25' ' ' LEU . 17.1 mt -65.7 -33.11 75.12 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.184 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.858 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 2.8 mmt -62.68 -45.72 91.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.664 0.269 . . . . 0.0 110.78 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.71 -45.19 75.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.604 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.3 -39.42 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.947 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -64.44 -25.99 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -74.85 -39.61 61.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.525 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.67 -39.88 95.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.227 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.06 -5.47 44.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.73 51.13 4.02 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.893 0.854 . . . . 0.0 110.193 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.646 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 95.4 mt -135.46 168.47 19.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.185 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.6 p -104.1 161.97 13.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD13 HD13 ' B' ' 13' ' ' LEU . 2.1 pt? -58.7 -36.39 74.15 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.548 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.931 ' HA ' HG21 ' B' ' 15' ' ' VAL . 12.7 m -57.75 -43.97 85.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 174.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 53.7 m-20 -64.73 -48.59 74.05 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.33 -35.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.667 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 1.1 t -69.84 -52.31 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.4 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.687 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 0.2 OUTLIER -59.13 -39.03 81.07 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.992 -0.442 . . . . 0.0 111.497 174.122 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.0 mt -66.67 -29.52 69.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.51 0.671 . . . . 0.0 109.699 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.34 63.76 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.424 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.707 HG22 HD12 ' B' ' 25' ' ' LEU . 36.4 mt -68.55 -39.79 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -59.55 -39.71 84.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.86 -37.58 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.728 0.775 . . . . 0.0 109.254 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.71 -45.29 93.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.447 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 HD23 ' B' ' 25' ' ' LEU . 88.8 mt -65.26 -50.64 64.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.639 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -59.78 -32.83 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.53 -21.05 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -95.18 -26.27 16.05 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.375 -0.203 . . . . 0.0 111.489 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.37 139.33 30.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.68 -17.13 36.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.051 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.93 38.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.0 110.613 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 40.2 mmtm -127.24 -81.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttp . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.477 -179.747 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -127.3 88.94 52.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 122.95 -0.147 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.22 -61.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.459 2.106 . . . . 0.0 111.476 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -152.16 -65.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -100.13 179.55 4.45 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 169.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.53 87.24 5.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.726 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.6 mt 62.56 8.04 2.72 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.52 174.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.502 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 94.5 m-20 57.21 30.68 18.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.061 -172.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.46 119.52 0.89 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.599 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mm -109.63 157.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -166.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -99.33 131.16 45.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.206 0.527 . . . . 0.0 110.247 -169.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.551 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -130.32 138.36 50.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.062 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.58 112.07 4.09 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.936 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.931 HG21 ' HA ' ' A' ' 37' ' ' SER . 47.9 t -104.24 142.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.96 124.16 50.96 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.811 HD12 ' HE3' ' B' ' 21' ' ' TRP . 15.1 pt -140.22 151.43 64.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.889 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.9 Cg_exo -61.96 159.73 32.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.729 2.953 . . . . 0.0 112.919 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.611 ' HG2' ' CG ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.14 -20.09 60.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -179.45 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.05 -33.57 69.15 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 109.508 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.811 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -80.29 -41.65 24.55 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.798 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.864 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.6 m-70 -57.09 -42.71 81.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.623 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.58 -62.87 1.55 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.508 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -72.49 -50.18 27.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.707 HD12 HG22 ' A' ' 44' ' ' ILE . 91.1 mt -66.72 -43.21 84.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.647 -174.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 88.5 mtp -68.53 -23.91 64.58 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.436 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.44 -40.89 93.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 170.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.454 ' HA ' ' OE2' ' B' ' 31' ' ' GLU . 70.8 mt -65.55 -38.85 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 176.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -63.9 -25.8 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.579 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -78.31 -34.8 48.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.121 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' HA ' ' B' ' 28' ' ' ILE . 40.7 mt-10 -64.96 -48.0 75.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.399 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -94.92 -3.42 48.68 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.6 57.93 0.84 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.143 0.973 . . . . 0.0 110.028 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 95.4 mt -133.77 168.56 18.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.416 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -103.43 160.86 14.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.915 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -60.02 -31.63 70.13 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.031 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.468 ' HB3' HG23 ' A' ' 15' ' ' VAL . 13.7 m -56.89 -40.86 77.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.284 174.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.429 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 34.7 m-20 -64.14 -40.19 95.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.266 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.2 -39.61 84.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.033 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.492 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 1.7 t -67.21 -58.35 5.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.742 0.306 . . . . 0.0 110.483 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -31.03 67.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 68.4 mt -72.07 -24.37 61.5 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.72 63.45 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.437 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 1.8 pt -70.37 -32.97 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.16 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -59.54 -41.32 89.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.188 0.518 . . . . 0.0 109.695 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.69 -38.68 77.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -62.61 -41.83 99.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.291 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.5 mt -63.98 -54.06 40.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.444 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -41.09 78.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.81 -26.49 44.3 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 111.662 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -95.35 -4.6 45.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 0.0 111.074 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' HG2' ' B' ' 55' ' ' LYS . 16.3 t70 -97.74 113.44 25.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.689 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -85.07 5.19 30.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.47 ' HB2' ' OD1' ' B' ' 52' ' ' ASP . 2.4 mp0 -86.51 -27.15 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.517 ' HG2' ' OD1' ' B' ' 52' ' ' ASP . 42.6 mmtm -80.0 -55.91 4.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.755 175.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.81 -176.31 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 12.8 mmm180 59.7 68.49 1.49 Allowed Pre-proline 0 N--CA 1.464 0.254 0 C-N-CA 122.705 0.402 . . . . 0.0 111.719 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.85 -63.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.213 1.942 . . . . 0.0 111.373 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -155.8 -56.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.137 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' B' ' 19' ' ' GLN . 25.2 ttmm -95.43 79.89 3.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 3' ' ' ARG . 8.5 mp 60.21 -90.6 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.457 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -138.9 12.68 2.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.182 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m120 65.66 9.48 5.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.907 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.55 34.47 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.991 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.653 HD12 ' OE1' ' B' ' 19' ' ' GLN . 4.3 mp -127.43 153.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -100.16 126.61 46.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.239 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.812 HD11 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -125.67 166.6 16.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.682 -175.513 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.15 147.22 19.11 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.737 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG21 ' HA ' ' B' ' 37' ' ' SER . 11.6 t -133.15 164.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -175.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.9 m-85 -131.36 135.16 46.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.27 0.228 . . . . 0.0 110.668 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.687 HG12 HD22 ' B' ' 13' ' ' LEU . 4.5 pt -151.44 151.01 28.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.031 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 24.3 Cg_endo -64.42 172.82 6.03 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 123.237 2.625 . . . . 0.0 114.186 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.82 -36.38 76.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.215 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.8 mm-40 -55.19 -33.28 62.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 111.394 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.505 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.8 m95 -78.72 -50.76 10.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.644 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 38.9 m-70 -59.74 -36.64 77.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.229 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.49 -59.02 5.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.406 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.1 mpt_? -75.58 -42.97 50.69 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.658 -173.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.96 -50.97 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.002 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.716 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 88.7 mmm -66.94 -24.94 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.973 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.1 -46.73 82.94 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.535 0.683 . . . . 0.0 109.441 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -62.73 -37.3 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -64.79 -22.73 67.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.669 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' ' 26' ' ' MET . 89.8 mttt -76.38 -45.53 31.41 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.23 -43.2 96.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.988 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -95.88 -3.86 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -174.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 m120 63.34 57.99 1.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.297 0.57 . . . . 0.0 111.292 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.645 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 90.4 mt -133.28 166.52 22.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.266 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 p -108.09 157.79 17.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 170.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -60.71 -23.92 65.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.234 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.023 ' HA ' HG21 ' B' ' 15' ' ' VAL . 14.8 m -59.93 -48.73 80.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.164 170.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.3 m-20 -64.43 -46.09 84.72 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.046 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.74 -31.79 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HB3' HG22 ' B' ' 15' ' ' VAL . 3.0 t -69.46 -49.5 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.909 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.558 ' HB2' ' CH2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -65.7 -31.61 72.71 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.276 -0.265 . . . . 0.0 111.301 173.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 94.2 mt -68.88 -25.52 64.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 109.666 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -70.83 -49.77 42.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.645 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.773 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 1.3 pt -68.29 -22.05 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.559 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 42' ' ' LEU . 85.6 tttt -58.0 -55.83 29.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.37 173.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.82 -24.25 58.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.25 0.548 . . . . 0.0 109.543 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.773 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 80.1 t80 -61.33 -43.0 99.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.207 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.7 mt -66.71 -54.04 27.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.623 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.09 -21.0 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.664 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -77.0 -59.99 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.404 -0.185 . . . . 0.0 111.149 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -93.59 -8.45 41.15 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.056 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.35 76.43 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.63 0.728 . . . . 0.0 109.37 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -79.56 -35.85 39.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.525 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -88.32 119.92 29.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.894 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 20.0 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.574 0.702 . . . . 0.0 109.706 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.645 -179.571 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.453 ' NH1' ' H ' ' B' ' 7' ' ' LEU . 9.2 mmm180 51.42 75.88 0.6 Allowed Pre-proline 0 N--CA 1.465 0.314 0 C-N-CA 122.563 0.345 . . . . 0.0 111.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.17 -59.77 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.391 2.061 . . . . 0.0 111.391 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -153.96 -27.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -144.99 111.16 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.407 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.464 ' HB3' ' H ' ' B' ' 8' ' ' LEU . 10.2 mp 57.02 -139.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.515 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.464 ' H ' ' HB3' ' B' ' 7' ' ' LEU . 63.7 mt -92.08 8.51 37.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.44 30.22 19.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.68 0.752 . . . . 0.0 110.324 -172.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.75 138.51 5.53 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.644 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 mp -119.0 148.04 22.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -172.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -99.61 123.6 44.03 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 110.596 -170.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.687 HD22 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -123.21 165.27 17.18 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.448 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.488 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -142.74 120.48 1.57 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.121 -1.037 . . . . 0.0 112.472 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 1.023 HG21 ' HA ' ' A' ' 37' ' ' SER . 39.3 t -105.12 155.96 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.39 122.8 26.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.598 HG12 HD22 ' A' ' 13' ' ' LEU . 37.3 pt -142.11 152.12 60.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.721 0.296 . . . . 0.0 111.193 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.786 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 28.7 Cg_endo -62.96 163.46 22.29 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.848 3.032 . . . . 0.0 114.474 -174.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.653 ' OE1' HD12 ' A' ' 11' ' ' ILE . 40.9 tp60 -62.94 -42.84 99.94 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.283 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 6.6 mm-40 -50.86 -40.92 57.41 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.917 0.865 . . . . 0.0 110.766 177.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.786 ' HE3' ' HD2' ' B' ' 18' ' ' PRO . 3.7 t90 -80.19 -30.55 38.77 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.257 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.619 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 2.6 m-70 -66.59 -49.52 66.08 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.374 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.33 -48.54 68.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.739 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 9.9 mpt_? -74.01 -47.29 38.08 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.394 -176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.657 HD12 HG12 ' B' ' 39' ' ' VAL . 4.5 mm? -66.99 -40.18 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.478 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.555 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 94.8 mmm -65.41 -28.98 69.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.2 -45.8 91.74 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.684 0.754 . . . . 0.0 109.071 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.76 -37.14 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.906 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.78 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.541 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 26' ' ' MET . 89.1 mttt -76.83 -56.93 4.16 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' C ' ' HE2' ' B' ' 32' ' ' LYS . 6.2 mm-40 -61.62 -31.67 71.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.793 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.454 ' HE2' ' C ' ' B' ' 31' ' ' GLU . 1.0 OUTLIER -95.39 -4.73 44.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.36 37.97 19.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.107 0.479 . . . . 0.0 111.433 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.03 166.47 11.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.445 ' O ' HG21 ' B' ' 39' ' ' VAL . 40.0 p -104.89 158.09 16.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 13' ' ' LEU . 2.2 pt? -56.58 -37.89 71.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.991 0.424 . . . . 0.0 110.054 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.494 ' HA ' HG21 ' A' ' 15' ' ' VAL . 7.3 m -55.2 -47.52 75.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.85 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.408 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 40.5 m-20 -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.339 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.657 HG12 HD12 ' B' ' 25' ' ' LEU . 61.8 t -61.68 -43.23 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.358 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 40' ' ' CYS . 14.1 m -66.54 -54.57 22.24 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.091 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' B' ' 44' ' ' ILE . 6.4 ppt_? -62.13 -34.4 76.27 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.36 -31.9 72.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.509 0.671 . . . . 0.0 109.634 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -73.19 -20.96 60.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.707 176.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.474 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 59.4 mt -66.05 -45.3 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.67 -36.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.329 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -68.42 -41.15 80.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.391 0.615 . . . . 0.0 109.656 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -63.81 -42.59 97.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.998 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.8 mt -66.91 -44.47 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.471 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.97 -43.31 77.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.962 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -76.96 -28.73 55.28 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.454 ' CD2' ' HA ' ' B' ' 48' ' ' LEU . 4.2 p80 -94.37 -24.83 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.829 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -141.99 102.02 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.153 0.501 . . . . 0.0 110.49 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -108.55 0.2 20.69 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.772 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -91.24 57.61 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.163 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -30.2 33.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp . . . . . 0 C--O 1.243 0.721 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 170.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 55.5 80.55 0.29 Allowed Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.997 0.519 . . . . 0.0 111.258 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.42 141.44 86.94 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.8 2.333 . . . . 0.0 112.177 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -84.33 137.53 33.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 54.65 74.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.038 0.923 . . . . 0.0 111.28 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -155.27 -56.96 0.1 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.332 -1.303 . . . . 0.0 108.87 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 tp -89.61 -8.59 52.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.525 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.58 52.6 13.53 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.243 -175.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.59 116.75 0.73 Allowed Glycine 0 N--CA 1.438 -1.222 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.881 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -106.12 153.45 7.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.749 ' HD3' ' CE1' ' B' ' 16' ' ' TYR . 26.9 tptp -98.63 123.61 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -171.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' HB3' HD13 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -131.22 165.46 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.027 178.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 119.48 2.05 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.834 HG21 ' HA ' ' B' ' 37' ' ' SER . 46.3 t -103.16 155.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.037 ' CD1' ' HD3' ' B' ' 12' ' ' LYS . 4.2 t80 -128.89 120.21 25.78 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.79 HG12 HD22 ' B' ' 13' ' ' LEU . 24.6 pt -138.63 153.48 72.38 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.628 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 32.3 Cg_exo -59.71 167.97 6.1 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.553 2.835 . . . . 0.0 114.466 -174.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.036 ' NE2' HD13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -68.92 -40.74 78.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.545 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.551 ' OE1' ' HB3' ' B' ' 9' ' ' ASN . 1.5 mp0 -53.06 -37.23 61.45 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.806 0.812 . . . . 0.0 109.823 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.795 ' CZ3' ' HG2' ' B' ' 41' ' ' ARG . 10.1 m0 -73.22 -58.48 3.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.187 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.85 ' CB ' HD11 ' B' ' 11' ' ' ILE . 10.7 t-80 -51.9 -43.12 63.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.065 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.83 -55.46 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.67 -31.72 65.28 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 111.078 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.77 -41.75 87.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 92.9 mmm -64.53 -30.19 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.18 -46.14 82.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.219 0.533 . . . . 0.0 109.854 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.69 -35.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.006 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.76 79.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.394 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 26' ' ' MET . 45.2 mttp -79.42 -43.27 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.061 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.74 -42.64 97.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.518 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -94.5 -3.81 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 62.65 51.63 3.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.761 0.791 . . . . 0.0 110.4 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.16 168.93 18.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.568 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.481 HG21 HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.57 151.16 22.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.958 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -58.05 -28.13 64.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.668 0.27 . . . . 0.0 110.905 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.812 ' HA ' HG23 ' B' ' 15' ' ' VAL . 9.1 p -59.39 -47.42 85.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.084 0.468 . . . . 0.0 110.64 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.582 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 45.7 m-20 -63.75 -41.74 97.96 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.647 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.8 -37.49 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 3.5 t -67.75 -48.49 66.25 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 109.968 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.825 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 2.3 tmt_? -49.56 -50.62 41.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.581 0.752 . . . . 0.0 111.13 169.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.9 mt -67.31 -24.63 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.973 0.416 . . . . 0.0 110.732 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' C ' ' HB3' ' B' ' 43' ' ' ALA . . . -69.3 -36.64 77.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.515 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.026 ' HB ' ' HZ2' ' B' ' 21' ' ' TRP . 19.7 mt -69.91 -34.9 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -46.69 84.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.335 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.59 -25.99 59.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.398 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD22 HD23 ' B' ' 25' ' ' LEU . 80.8 mt -68.83 -46.56 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.204 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.42 -29.8 70.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.045 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.602 HD21 ' CD ' ' B' ' 46' ' ' GLU . 53.1 t30 -78.42 -30.4 47.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.109 0.481 . . . . 0.0 110.712 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -93.86 -62.45 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 110.768 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -98.15 65.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.437 0.637 . . . . 0.0 109.747 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -84.54 -31.3 24.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.812 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -89.56 125.36 35.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.303 0.573 . . . . 0.0 110.808 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -109.5 7.61 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.653 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt . . . . . 0 C--O 1.25 1.099 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.104 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 58.62 80.79 0.27 Allowed Pre-proline 0 N--CA 1.464 0.265 0 C-N-CA 122.898 0.479 . . . . 0.0 110.955 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.611 ' HG2' HD23 ' B' ' 7' ' ' LEU . 16.5 Cg_exo -68.45 153.15 74.55 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.011 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -83.42 137.29 33.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.961 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 58.7 30.92 20.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.825 0.821 . . . . 0.0 111.402 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.611 HD23 ' HG2' ' B' ' 4' ' ' PRO . 57.9 tp -92.37 -60.11 1.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp -90.2 5.04 48.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.214 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.758 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.8 m-20 48.38 52.48 13.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.952 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.78 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -163.79 141.64 7.26 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 1.036 HD13 ' NE2' ' A' ' 19' ' ' GLN . 4.4 mp -129.05 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 1.037 ' HD3' ' CD1' ' A' ' 16' ' ' TYR . 17.2 tptp -100.92 134.7 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.958 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.36 140.06 47.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -176.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.95 116.1 5.37 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.058 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.812 HG23 ' HA ' ' A' ' 37' ' ' SER . 23.2 t -107.78 162.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.749 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 3.2 m-85 -131.87 130.02 41.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.777 0.322 . . . . 0.0 110.754 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 13' ' ' LEU . 39.5 pt -139.74 140.44 24.78 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -176.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.872 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 43.8 Cg_exo -59.53 161.07 18.4 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 123.869 3.046 . . . . 0.0 113.413 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -80.43 -33.24 37.04 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.94 -172.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 1.3 mp0 -59.21 -35.24 73.26 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 122.618 1.199 . . . . 0.0 109.35 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 1.026 ' HZ2' ' HB ' ' A' ' 44' ' ' ILE . 10.8 t90 -79.26 -25.57 42.53 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.516 -1.674 . . . . 0.0 108.397 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' B' ' 26' ' ' MET . 3.3 m-70 -65.06 -44.46 88.9 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.312 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' B' ' 20' ' ' GLU . 16.7 m-20 -50.82 -57.8 7.52 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.068 0.461 . . . . 0.0 110.285 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.522 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 7.2 mpt_? -73.62 -52.3 13.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.687 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.72 HD12 HG12 ' B' ' 39' ' ' VAL . 3.5 mm? -67.92 -44.18 77.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.7 ' SD ' ' HB3' ' B' ' 36' ' ' LEU . 80.6 mmm -67.67 -25.59 65.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.887 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -65.7 -40.41 92.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.567 171.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.11 -37.85 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.645 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -61.92 -27.77 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.501 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 26' ' ' MET . 61.2 mttp -78.43 -44.19 25.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.126 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.36 -39.75 95.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.24 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -95.93 -3.17 45.72 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.6 49.11 2.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.361 0.6 . . . . 0.0 111.272 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 77.9 mt -124.53 166.1 16.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.221 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 39' ' ' VAL . 81.9 p -110.59 162.85 14.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 172.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 13' ' ' LEU . 2.4 pt? -55.77 -38.15 69.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.916 0.388 . . . . 0.0 110.493 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.834 ' HA ' HG21 ' A' ' 15' ' ' VAL . 4.8 m -56.94 -47.32 80.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.472 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 68.8 m-20 -64.67 -43.59 93.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.609 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.72 HG12 HD12 ' B' ' 25' ' ' LEU . 69.7 t -63.61 -38.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.552 -176.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.05 -53.61 47.1 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.795 ' HG2' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -49.09 -50.23 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.281 171.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.0 mt -64.61 -27.93 69.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.315 0.578 . . . . 0.0 110.578 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.518 ' HB3' ' C ' ' A' ' 43' ' ' ALA . . . -71.31 -32.99 69.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.104 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 28.2 mt -66.52 -38.55 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -56.52 -48.03 78.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.602 ' CD ' HD21 ' A' ' 50' ' ' ASN . 32.7 tt0 -72.98 -33.75 66.03 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.91 -43.32 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.048 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 76.0 mt -64.78 -41.42 95.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.982 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 13.4 t70 -62.0 -37.14 83.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.226 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -73.32 -31.71 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.131 -0.356 . . . . 0.0 111.263 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -90.33 -33.91 15.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.974 0.416 . . . . 0.0 110.803 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.12 82.84 1.88 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.412 0.625 . . . . 0.0 109.65 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 49' ' ' ASP . 25.2 ttmm -86.02 -39.17 17.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.771 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -92.3 138.39 31.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.632 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -110.91 48.44 0.92 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt . . . . . 0 C--O 1.247 0.928 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.875 -175.282 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -123.69 109.33 30.45 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 0.0 111.139 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -87.11 108.96 0.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.358 2.705 . . . . 0.0 112.239 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 60.87 -79.84 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 173.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' B' ' 19' ' ' GLN . 6.4 mmmm -86.22 -73.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 0.0 109.61 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.555 ' HG ' ' N ' ' A' ' 8' ' ' LEU . 2.2 pt? -153.4 -55.66 0.12 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 82.8 mt -150.77 114.34 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.589 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -83.95 42.58 0.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.335 0.588 . . . . 0.0 110.13 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.16 103.33 0.21 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.1 mm -116.14 153.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -100.18 134.91 42.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 -170.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.814 ' HG ' ' HB ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -135.84 167.03 21.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.644 -179.381 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.83 126.09 2.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.29 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 1.032 HG23 ' HA ' ' B' ' 37' ' ' SER . 66.9 t -111.08 141.82 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.53 122.51 45.73 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.666 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.685 HD13 HD13 ' A' ' 36' ' ' LEU . 25.9 pt -141.62 156.75 66.3 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.633 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.44 169.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.218 2.612 . . . . 0.0 113.09 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' HG2' ' OE1' ' A' ' 20' ' ' GLU . 6.7 pt20 -76.43 -34.28 58.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.624 -177.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' OE1' ' HG2' ' A' ' 19' ' ' GLN . 1.7 mp0 -54.42 -32.74 58.04 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.825 173.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.925 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 4.0 m95 -77.19 -57.9 3.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.261 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.497 ' HA ' HD12 ' A' ' 36' ' ' LEU . 46.9 t-80 -50.19 -47.48 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.121 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.79 -52.6 49.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.467 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.3 mpt_? -72.3 -34.69 68.33 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 -174.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.05 -42.41 94.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.504 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 4.9 mmt -62.81 -41.27 99.23 Favored 'General case' 0 C--O 1.22 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 111.661 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 27.3 mm-40 -57.63 -52.86 63.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.007 0.432 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.435 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 67.5 mt -63.64 -43.7 98.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.209 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -61.52 -36.33 80.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.506 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 26' ' ' MET . 28.2 mtpp -76.64 -24.72 53.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 70.0 mt-10 -60.63 -46.0 91.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.055 0.455 . . . . 0.0 110.023 171.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 28' ' ' ILE . 1.3 mptp? -93.1 -2.38 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.232 -174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.1 t30 65.39 54.36 1.17 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.184 0.993 . . . . 0.0 110.615 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 95.6 mt -133.91 168.5 18.66 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.567 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -105.09 157.46 17.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.747 ' HG ' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -60.87 -27.4 68.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 109.957 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.497 ' OG ' ' HA ' ' B' ' 15' ' ' VAL . 29.2 t -55.56 -47.74 75.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.055 171.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.609 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 63.3 m-20 -63.79 -49.3 73.47 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.067 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -33.37 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.861 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.957 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 5.2 t -70.03 -55.68 8.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.622 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.91 -32.47 70.78 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 173.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -71.33 -23.89 62.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.591 -0.693 . . . . 0.0 109.796 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -69.99 -40.44 75.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.999 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 41' ' ' ARG . 15.5 pt -69.32 -31.17 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' HH2' ' B' ' 21' ' ' TRP . 66.7 tttm -59.89 -48.41 81.8 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.11 -28.53 62.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.277 0.561 . . . . 0.0 109.499 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -63.45 -46.2 87.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.707 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 76.9 mt -66.4 -39.58 89.1 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.035 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.66 -43.3 93.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.323 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -82.9 -40.55 20.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.611 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -90.03 -56.41 3.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 111.45 -176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -93.56 64.21 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -55.98 -73.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.314 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 HE21 ' HB2' ' A' ' 54' ' ' GLN . 1.8 pt20 -89.28 120.39 30.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 110.841 -178.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -94.68 73.46 3.66 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.254 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.17 -173.702 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.049 -0.42 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.592 ' HB2' ' HA ' ' B' ' 7' ' ' LEU . 37.8 ptt180 -149.64 114.88 3.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.508 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.26 135.17 20.2 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 112.588 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 62.92 -85.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.094 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.467 ' HD2' ' NE2' ' A' ' 19' ' ' GLN . 62.5 mttm -107.21 -64.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.528 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.894 ' HG ' ' H ' ' B' ' 8' ' ' LEU . 1.3 pt? -149.73 -71.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.894 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 96.5 mt -139.38 86.83 2.15 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.402 ' CG ' HE21 ' A' ' 19' ' ' GLN . 2.5 m-20 -83.14 51.19 1.9 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.376 0.608 . . . . 0.0 110.369 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.24 107.43 0.3 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.65 139.09 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.673 0.273 . . . . 0.0 110.578 -169.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -102.27 127.45 49.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 -176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.747 HD13 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -128.58 145.86 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.31 179.375 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.9 124.37 8.19 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.104 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.814 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 17.5 t -109.41 155.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -135.44 124.41 24.2 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.677 HD11 ' HE3' ' B' ' 21' ' ' TRP . 22.3 pt -147.06 159.14 43.61 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.587 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 15.8 Cg_endo -56.86 158.71 16.18 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.437 2.758 . . . . 0.0 113.622 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 6' ' ' LYS . 1.1 tm0? -66.7 -35.97 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.182 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -57.07 -30.66 64.49 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.878 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.677 ' HE3' HD11 ' B' ' 17' ' ' ILE . 1.7 m0 -77.77 -47.23 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.319 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -56.43 -37.97 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.04 -57.93 10.66 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 3.0 mpt_? -76.07 -30.2 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -175.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 60.9 mt -63.24 -45.95 89.21 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.478 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.609 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 24.6 mmt -63.86 -37.97 89.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.14 -44.8 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.53 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' B' ' 32' ' ' LYS . 80.3 mt -64.77 -33.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.516 0.674 . . . . 0.0 110.108 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.12 -34.44 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 26' ' ' MET . 24.9 mtpp -79.99 -39.37 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.85 -53.68 46.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.946 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.543 ' HD2' HG23 ' B' ' 28' ' ' ILE . 49.3 mttp -95.56 -0.9 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.148 -165.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.8 t30 69.07 55.02 0.43 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.063 0.935 . . . . 0.0 110.208 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.3 mt -135.59 166.35 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.743 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.491 ' O ' HG21 ' B' ' 39' ' ' VAL . 45.0 p -118.13 160.69 21.11 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 168.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 13' ' ' LEU . 2.5 pt? -59.23 -30.83 68.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.159 0.504 . . . . 0.0 110.051 176.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 1.032 ' HA ' HG23 ' A' ' 15' ' ' VAL . 8.2 t -60.98 -50.48 73.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.026 173.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.6 -42.01 98.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.792 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 35' ' ' THR . 77.5 t -62.35 -38.6 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.734 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.957 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 88.0 m -63.31 -63.64 1.13 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.629 0.252 . . . . 0.0 111.173 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.925 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -54.85 -42.4 71.93 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.316 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.496 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 42.1 mt -65.13 -35.33 80.78 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.721 -0.612 . . . . 0.0 110.322 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 47' ' ' TYR . . . -72.25 -21.94 61.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.993 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 20.1 mt -69.88 -39.68 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -39.54 84.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.316 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 109.452 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' B' ' 43' ' ' ALA . 22.4 t80 -62.03 -44.88 95.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.735 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.5 mt -66.9 -43.01 84.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.541 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -45.01 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -81.75 -12.99 58.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -95.21 -64.34 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.698 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -142.51 120.08 11.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.692 0.758 . . . . 0.0 109.56 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -78.87 -16.28 57.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.364 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -150.2 138.23 20.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.573 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -111.69 102.53 10.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.871 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp . . . . . 0 C--O 1.25 1.086 0 O-C-N 124.008 0.818 . . . . 0.0 110.928 -177.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -136.64 107.57 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.486 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.46 -41.27 12.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.981 2.454 . . . . 0.0 112.291 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -147.75 -71.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -140.46 21.35 2.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.715 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.816 ' HG ' ' HG ' ' A' ' 8' ' ' LEU . 42.3 tp 72.41 134.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.148 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.816 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 87.1 mt 65.09 82.56 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.131 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -81.75 -17.13 48.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.038 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.44 140.21 6.49 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.634 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.648 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 22.6 mm -121.23 159.45 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -176.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.99 129.7 45.3 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.174 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -131.65 128.22 38.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.417 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.575 ' O ' ' OG ' ' B' ' 37' ' ' SER . . . -104.4 121.89 7.15 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.902 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 1.13 HG21 ' HA ' ' B' ' 37' ' ' SER . 56.9 t -108.2 145.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.75 118.04 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.526 0.203 . . . . 0.0 110.781 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.828 HD12 ' HE3' ' A' ' 21' ' ' TRP . 16.7 pt -140.06 161.59 54.87 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.664 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.694 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 39.1 Cg_endo -65.92 153.64 77.29 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.946 2.431 . . . . 0.0 112.933 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -65.76 -27.74 68.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.028 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.604 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -53.88 -40.28 66.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.617 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.828 ' HE3' HD12 ' A' ' 17' ' ' ILE . 9.9 m0 -73.77 -40.6 63.34 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.445 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.85 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -56.17 -45.0 79.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.242 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.53 -53.49 56.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.895 0.379 . . . . 0.0 111.222 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.6 mpt_? -74.98 -38.91 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.217 -173.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.9 -44.91 88.05 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.838 -0.165 . . . . 0.0 110.876 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 29' ' ' ALA . 95.4 mmm -67.75 -25.95 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.17 -48.47 73.37 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.72 -29.79 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.006 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -29.34 70.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.948 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.78 -38.43 54.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.028 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -44.9 96.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.961 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -96.01 -4.67 42.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.21 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 59.42 45.88 13.13 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.468 0.652 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.601 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.9 mt -133.85 169.14 17.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.786 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -103.61 159.55 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.788 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' B' ' 13' ' ' LEU . 2.7 pt? -58.69 -36.27 73.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.736 0.303 . . . . 0.0 110.534 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.773 ' HB3' HG23 ' B' ' 15' ' ' VAL . 13.8 m -56.29 -43.89 79.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.596 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.587 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 47.2 m-20 -63.88 -40.91 97.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.987 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -39.03 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.336 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' CB ' ' SG ' ' B' ' 40' ' ' CYS . 31.1 m -70.73 -53.61 14.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.789 ' HG2' ' CG1' ' B' ' 15' ' ' VAL . 7.3 ppt_? -57.17 -37.21 71.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.121 -0.362 . . . . 0.0 111.508 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.85 -31.13 71.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 110.065 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.76 62.43 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.871 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 73.0 mt -66.23 -43.7 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.29 -37.28 77.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.154 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.573 ' OE1' ' NE2' ' B' ' 51' ' ' HIS . 8.6 tp10 -68.66 -42.49 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.39 177.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -62.54 -48.67 78.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.636 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 48.8 mt -67.35 -58.09 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.368 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.04 -31.69 73.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.493 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -77.13 -45.25 27.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.0 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' NE2' ' OE2' ' B' ' 46' ' ' GLU . 51.7 m-70 -92.99 -4.74 52.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.484 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.9 t70 66.1 151.88 0.06 Allowed 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.945 0.778 . . . . 0.0 112.946 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.21 -62.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.687 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -99.22 130.85 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.459 172.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.54 84.35 6.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' HB2' ' A' ' 56' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.821 -167.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 112.222 -0.351 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.486 ' HG3' HD12 ' B' ' 7' ' ' LEU . 29.1 ttp180 -141.43 79.97 16.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 122.679 -0.306 . . . . 0.0 110.346 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.03 -64.56 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.442 2.095 . . . . 0.0 111.573 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.84 -80.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -150.1 80.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.505 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.486 HD12 ' HG3' ' B' ' 3' ' ' ARG . 9.1 mp 61.91 57.92 2.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.34 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 88.8 mt 69.83 143.49 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.548 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 32.5 p30 -90.89 -3.52 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.127 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.16 140.33 6.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.697 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.85 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 16.9 mm -125.72 155.89 35.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.429 ' HZ3' ' HA3' ' A' ' 14' ' ' GLY . 41.6 tptt -99.74 131.97 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.136 0.493 . . . . 0.0 110.688 -175.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -133.93 161.73 33.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.465 178.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -144.26 146.26 16.61 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.32 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.789 ' CG1' ' HG2' ' A' ' 41' ' ' ARG . 3.2 t -130.4 165.93 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -127.02 121.9 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 24.2 pt -138.17 152.26 71.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.1 157.81 19.74 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.508 2.805 . . . . 0.0 113.235 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.41 -22.6 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.036 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.661 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 24.9 mm-40 -55.19 -39.9 70.11 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.636 0.731 . . . . 0.0 109.599 173.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.48 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 11.4 m0 -74.41 -50.53 18.14 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.004 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.648 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 24.3 m-70 -55.95 -50.21 71.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.503 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.14 -50.89 72.31 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.967 0.413 . . . . 0.0 111.748 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.661 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.5 mpt_? -73.13 -36.87 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.722 -174.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.17 -34.0 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.266 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 80.4 mmm -60.95 -40.95 95.23 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.549 0.214 . . . . 0.0 110.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.5 tt0 -64.38 -44.65 90.67 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.511 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.16 -35.06 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.516 0.674 . . . . 0.0 109.814 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.2 -32.32 72.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.879 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 26' ' ' MET . 91.8 mttt -81.36 -33.57 32.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.361 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 48.9 mt-10 -61.6 -53.66 53.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.603 178.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.55 -2.03 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.76 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 65.17 54.41 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.48 0.657 . . . . 0.0 111.018 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.3 mt -134.21 167.83 19.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.417 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.424 ' O ' HG22 ' B' ' 39' ' ' VAL . 71.3 p -108.28 165.82 11.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.062 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.572 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 2.0 pt? -56.99 -35.71 69.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 1.13 ' HA ' HG21 ' A' ' 15' ' ' VAL . 13.6 m -58.98 -47.34 85.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.546 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.2 m-20 -62.99 -49.07 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.454 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 35' ' ' THR . 94.6 t -61.76 -36.54 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.133 -176.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.442 ' SG ' ' CB ' ' A' ' 40' ' ' CYS . 1.4 t -64.67 -53.53 46.05 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.704 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 2.7 ppt_? -67.63 -35.53 79.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 95.1 mt -69.62 -23.95 63.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.451 0.643 . . . . 0.0 109.877 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.81 -39.07 66.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.01 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.688 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 21.0 pt -70.22 -28.59 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.225 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.08 -40.75 86.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.391 0.615 . . . . 0.0 109.634 172.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.438 ' OE2' ' NE2' ' A' ' 51' ' ' HIS . 18.2 tp10 -71.36 -38.56 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.715 176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -63.71 -41.44 98.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.184 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 80.4 mt -66.99 -38.64 86.39 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.694 0.283 . . . . 0.0 111.746 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.53 -40.12 43.73 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.573 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 45.6 m-70 -89.54 -64.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 64.75 141.22 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -140.43 24.63 2.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.214 167.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.29 58.43 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.126 -176.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -80.43 77.2 7.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.262 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.883 174.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HD3' ' HD2' ' A' ' 4' ' ' PRO . 18.7 tpp180 -126.79 113.67 22.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD2' ' HD3' ' A' ' 3' ' ' ARG . 18.2 Cg_exo -66.45 115.61 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.54 2.16 . . . . 0.0 111.196 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -81.23 -2.4 48.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.074 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.98 29.03 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.803 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt 68.3 0.37 2.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.778 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.44 103.55 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.92 -18.61 23.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.46 146.47 12.92 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.898 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.49 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 32.9 mm -124.67 157.54 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -170.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.24 125.71 44.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.238 0.542 . . . . 0.0 110.895 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.547 HD23 HG12 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -132.8 166.41 22.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.898 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.27 131.36 4.83 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.019 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' B' ' 37' ' ' SER . 14.2 t -108.75 159.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 117.68 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.908 HD13 ' HE3' ' A' ' 21' ' ' TRP . 23.4 pt -138.7 163.71 44.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.104 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.84 150.16 84.62 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.113 2.542 . . . . 0.0 112.959 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.79 -32.28 67.39 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.977 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.628 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 7.8 mm-40 -55.72 -41.99 74.67 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.362 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.908 ' HE3' HD13 ' A' ' 17' ' ' ILE . 45.0 m0 -76.25 -49.75 16.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.704 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 11.8 t-80 -53.81 -39.26 65.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.792 0.683 . . . . 0.0 110.643 -177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.93 -52.4 63.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.401 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 8.6 mpt_? -74.73 -27.97 60.58 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.682 ' HB3' HD21 ' A' ' 36' ' ' LEU . 77.4 mt -63.97 -41.3 97.58 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.488 ' HE1' HD11 ' A' ' 36' ' ' LEU . 16.2 mmt -62.23 -39.41 92.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.99 -46.72 83.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.04 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.62 -36.65 76.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.154 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -63.86 -26.55 68.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.0 mttm -79.36 -48.29 14.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.253 0.549 . . . . 0.0 109.825 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -41.68 97.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.565 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -94.94 -9.04 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.15 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.39 36.43 17.4 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.268 0.556 . . . . 0.0 111.653 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 96.0 mt -109.26 165.93 11.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 39' ' ' VAL . 68.2 p -106.17 159.44 16.09 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD21 ' HB3' ' A' ' 25' ' ' LEU . 19.2 mt -60.61 -32.47 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.098 0.475 . . . . 0.0 110.314 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.996 ' HA ' HG21 ' B' ' 15' ' ' VAL . 2.9 m -56.87 -46.93 81.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 62.7 m-20 -63.71 -42.77 97.9 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.328 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 35' ' ' THR . 66.7 t -61.44 -47.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.879 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.614 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 0.6 OUTLIER -67.63 -50.27 58.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.702 -176.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.926 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.9 tmm_? -49.01 -54.19 16.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.109 0.563 . . . . 0.0 111.825 170.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -65.46 -21.62 66.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.048 0.452 . . . . 0.0 110.397 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' HB2' ' B' ' 43' ' ' ALA . . . -71.36 -35.33 71.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 14.2 mt -67.8 -34.95 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.11 -42.76 81.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.269 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.02 -36.47 75.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.602 0.715 . . . . 0.0 109.602 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.39 -46.96 84.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.446 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 85.4 mt -63.96 -46.88 82.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.672 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.83 -42.57 99.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.747 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -79.41 -27.66 41.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -95.72 -4.8 43.46 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 61.85 -77.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.927 0.767 . . . . 0.0 112.445 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.0 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -146.36 140.09 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.095 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 21.9 pttp -99.21 31.47 3.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.231 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' LYS . 21.1 tttm . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.847 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.462 ' HD3' ' HD2' ' B' ' 4' ' ' PRO . 11.3 tpp180 -151.01 111.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.722 0.296 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.933 ' HA ' ' HB3' ' B' ' 9' ' ' ASN . 51.4 Cg_endo -71.53 106.4 1.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 111.44 173.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -78.95 -59.0 2.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' B' ' 8' ' ' LEU . 21.5 ptmt -95.65 29.24 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' B' ' 4' ' ' PRO . 85.0 mt 69.5 -42.78 0.51 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.377 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' B' ' 6' ' ' LYS . 87.3 mt -89.02 78.0 7.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.933 ' HB3' ' HA ' ' B' ' 4' ' ' PRO . 3.4 p-10 -84.15 -5.24 59.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.679 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.53 141.12 7.4 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.704 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 4.7 mm -120.29 163.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -171.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -99.37 143.07 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.734 -173.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.477 ' N ' HD21 ' B' ' 13' ' ' LEU . 0.8 OUTLIER -141.77 119.75 12.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.926 175.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.35 116.96 5.66 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.41 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.996 HG21 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -105.32 149.6 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.569 0.223 . . . . 0.0 110.636 -175.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.12 129.04 55.48 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 169.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.588 HD13 ' HE3' ' B' ' 21' ' ' TRP . 29.9 pt -137.89 147.31 56.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.756 0.313 . . . . 0.0 110.615 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.53 169.98 8.96 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.796 2.997 . . . . 0.0 114.238 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -66.94 -38.69 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.813 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.69 -29.55 59.57 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.474 0.654 . . . . 0.0 110.707 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.926 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 6.3 m0 -76.5 -48.88 18.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.814 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.725 ' O ' ' HB2' ' B' ' 26' ' ' MET . 28.7 m-70 -58.38 -35.97 72.8 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.16 -63.89 1.1 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.196 0.522 . . . . 0.0 111.323 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -75.55 -39.08 58.72 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.574 -0.45 . . . . 0.0 112.187 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.6 mt -66.02 -39.25 90.07 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.725 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.7 mmt -64.88 -33.63 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.43 -44.09 95.55 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.837 174.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.75 -37.03 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.907 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -60.49 -40.05 89.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.209 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 26' ' ' MET . 64.0 mttm -79.52 -38.5 34.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 0.0 110.214 -176.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.88 -44.33 90.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.445 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -95.57 -1.91 49.49 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 68.59 53.32 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.416 0.627 . . . . 0.0 110.958 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 92.9 mt -136.62 167.44 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.033 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.518 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 30.8 p -111.51 165.39 12.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.525 HD11 HD13 ' A' ' 13' ' ' LEU . 2.7 pt? -58.38 -43.95 88.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.929 0.331 . . . . 0.0 110.471 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.54 ' HB3' HG21 ' A' ' 15' ' ' VAL . 19.6 m -60.17 -42.62 95.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 4.6 m-20 -63.65 -42.21 98.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 35' ' ' THR . 86.4 t -63.98 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.654 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.614 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 2.7 t -64.81 -50.19 67.7 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.396 0.617 . . . . 0.0 109.764 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.726 ' HG3' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -53.88 -44.19 70.24 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.297 171.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.7 mt -67.25 -24.57 65.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.464 0.65 . . . . 0.0 110.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' C ' ' A' ' 43' ' ' ALA . . . -73.8 -35.16 64.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.384 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 41' ' ' ARG . 33.1 pt -71.55 -29.78 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.848 177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -59.15 -44.67 92.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.543 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.11 -28.89 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.105 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.535 ' O ' ' HB2' ' B' ' 51' ' ' HIS . 57.3 t80 -63.3 -45.49 91.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.573 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 65.4 mt -65.87 -49.7 67.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.646 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.0 -46.18 91.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.93 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.79 -27.26 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' B' ' 47' ' ' TYR . 5.9 m-70 -89.39 -5.19 57.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.313 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 64.18 -76.66 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.054 0.846 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 70.2 tttt 175.46 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.659 0.742 . . . . 0.0 109.719 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -121.46 166.84 13.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.014 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' B' ' 56' ' ' LYS . 17.2 pttp -132.84 40.78 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.015 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 55' ' ' LYS . 33.7 tttm . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.747 -168.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 112.269 -0.333 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 63.93 105.23 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 123.056 0.542 . . . . 0.0 111.304 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HD2' ' O ' ' A' ' 7' ' ' LEU . 20.9 Cg_exo -66.27 88.85 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.322 2.681 . . . . 0.0 112.231 178.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.41 ' HD2' HD22 ' A' ' 9' ' ' ASN . 52.7 m-85 63.34 -80.17 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.741 0.817 . . . . 0.0 111.483 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -106.49 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.183 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' O ' ' HD2' ' A' ' 4' ' ' PRO . 45.6 tp -144.77 -73.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.134 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 98.4 mt -139.7 15.02 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.41 HD22 ' HD2' ' A' ' 5' ' ' TYR . 94.4 m-20 58.67 66.46 1.07 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.562 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.19 128.09 1.86 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 28.5 mm -114.75 142.46 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.598 -170.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 50.1 tptt -101.07 121.37 41.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.829 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' HA2' ' B' ' 14' ' ' GLY . 0.2 OUTLIER -120.19 132.74 55.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.353 -179.028 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.05 135.73 12.47 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.966 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.668 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.2 t -125.77 165.62 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.18 121.76 21.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 110.687 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.592 HD12 ' HE3' ' A' ' 21' ' ' TRP . 25.3 pt -142.68 153.58 61.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.255 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 42.5 Cg_exo -56.93 151.73 47.58 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.027 2.484 . . . . 0.0 113.047 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -56.21 -46.27 79.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -59.07 -26.34 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.645 0.26 . . . . 0.0 111.694 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.676 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 0.1 OUTLIER -83.46 -44.04 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' HD2' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -51.53 -51.66 53.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.459 0.647 . . . . 0.0 110.435 171.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 34.2 t70 -62.06 -42.99 99.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.119 -173.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 5.7 mpt_? -76.38 -27.11 56.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.932 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 21' ' ' TRP . 70.9 mt -64.03 -41.88 97.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 90.5 mmm -63.69 -34.51 78.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.792 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.7 mt-10 -63.14 -50.65 69.59 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 109.886 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.65 -35.09 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.051 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -63.21 -29.28 70.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.466 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 26' ' ' MET . 51.9 mtmt -80.11 -36.63 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.417 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.12 -48.47 78.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.494 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -91.69 -4.27 55.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.055 -170.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 61.75 52.03 3.67 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.534 0.683 . . . . 0.0 110.741 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 94.5 mt -134.91 168.56 18.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.267 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -104.99 164.74 11.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 37' ' ' SER . 4.0 pp -59.55 -34.36 72.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.613 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.82 ' HA ' HG22 ' B' ' 15' ' ' VAL . 16.8 m -58.68 -41.21 85.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.328 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.2 -45.4 84.94 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.365 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.57 -35.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.65 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.707 ' HG ' ' HB3' ' B' ' 40' ' ' CYS . 2.0 t -68.66 -55.77 10.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.659 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.02 -37.11 73.69 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.914 -0.491 . . . . 0.0 111.804 173.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.659 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 69.8 mt -67.29 -23.71 65.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.461 0.648 . . . . 0.0 109.41 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -72.95 -43.5 62.23 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.174 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.2 pt -69.22 -30.06 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.729 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.31 -41.08 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 109.875 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.66 -35.26 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.292 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.85 -45.6 93.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.094 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 84.5 mt -65.48 -50.8 63.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.47 -30.24 71.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.81 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -75.73 -33.1 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.831 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -88.58 -28.46 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.914 0.387 . . . . 0.0 110.697 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.8 79.09 2.64 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -85.15 -37.79 19.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.76 -175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 67.54 179.08 0.23 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.511 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -136.56 23.37 3.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.503 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm . . . . . 0 C--O 1.246 0.89 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.688 -172.581 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 61.07 85.28 0.18 Allowed Pre-proline 0 N--CA 1.465 0.324 0 O-C-N 123.784 0.343 . . . . 0.0 110.719 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' B' ' 8' ' ' LEU . 20.8 Cg_endo -63.24 92.45 0.15 Allowed 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 122.854 2.37 . . . . 0.0 112.751 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 58.8 -96.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.502 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -100.98 -39.48 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 tp -148.03 -89.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.365 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' B' ' 4' ' ' PRO . 98.1 mt -142.36 46.09 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 m120 58.94 29.52 19.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.624 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.98 147.69 13.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.928 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.412 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 31.2 mm -123.89 161.66 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.99 138.49 36.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.451 ' N ' HD22 ' B' ' 13' ' ' LEU . 1.3 pt? -142.24 163.86 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.718 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -150.31 126.15 2.1 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.007 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.82 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -109.03 153.18 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.468 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 m-85 -114.22 124.92 53.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.386 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.813 HD11 ' HE3' ' B' ' 21' ' ' TRP . 23.9 pt -136.09 157.89 74.84 Favored Pre-proline 0 C--O 1.236 0.368 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.455 176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.41 177.78 3.65 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.74 2.96 . . . . 0.0 115.347 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.583 ' HG3' ' H ' ' B' ' 20' ' ' GLU . 15.2 pt20 -61.02 -60.11 4.3 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.522 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.583 ' H ' ' HG3' ' B' ' 19' ' ' GLN . 22.4 mm-40 -59.53 -18.58 41.65 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.927 0.394 . . . . 0.0 111.96 -174.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.813 ' HE3' HD11 ' B' ' 17' ' ' ILE . 10.3 m0 -78.77 -57.22 3.87 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.412 ' O ' ' HG2' ' B' ' 26' ' ' MET . 44.7 t-80 -56.08 -43.12 77.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.508 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.32 -54.86 38.43 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.697 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mmt-85 -72.02 -35.6 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.278 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 -32.58 73.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.216 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 72.3 mmm -62.62 -41.1 98.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.985 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.8 mt-10 -61.95 -49.94 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.154 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.09 -31.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.464 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.275 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -79.52 -30.16 41.77 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.427 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 86.6 mt-10 -63.05 -49.1 75.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.815 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.445 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 10.9 mptt -95.42 -2.65 48.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.03 -174.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 66.08 46.4 2.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.388 0.613 . . . . 0.0 111.339 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 93.5 mt -131.41 166.76 20.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.172 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.418 ' O ' HG21 ' B' ' 39' ' ' VAL . 73.3 p -104.63 160.15 15.19 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.868 173.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -58.45 -35.07 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.101 0.477 . . . . 0.0 110.065 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.668 ' HB3' HG22 ' A' ' 15' ' ' VAL . 18.4 m -56.89 -44.82 82.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.526 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 69.4 m-20 -66.07 -48.67 70.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.383 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.418 HG21 ' O ' ' B' ' 35' ' ' THR . 58.9 t -59.56 -37.28 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.915 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.707 ' HB3' ' HG ' ' A' ' 40' ' ' CYS . 1.4 t -66.38 -59.03 4.06 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.704 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.676 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 17.6 ptt180 -59.66 -37.68 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 91.8 mt -68.8 -25.47 64.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.038 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -24.35 59.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.514 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.563 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 51.2 mt -67.83 -38.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' LEU . 59.4 tptt -57.96 -41.88 83.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.867 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.95 -36.53 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 109.508 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.9 -47.8 81.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.097 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.3 mt -66.34 -46.09 78.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.3 -50.13 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.886 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.49 -14.12 57.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -89.07 -38.4 14.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.541 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -91.82 79.63 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -76.58 -22.92 53.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.753 -171.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 61.98 -171.27 0.16 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.797 0.685 . . . . 0.0 110.669 -176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' B' ' 55' ' ' LYS . 29.6 mtpp -126.7 31.87 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' B' ' 56' ' ' LYS . 6.8 ptmm? . . . . . 0 C--O 1.25 1.123 0 O-C-N 124.733 1.271 . . . . 0.0 111.486 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 63.63 77.47 0.31 Allowed Pre-proline 0 N--CA 1.467 0.375 0 C-N-CA 122.743 0.417 . . . . 0.0 110.86 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HG3' ' OD1' ' A' ' 9' ' ' ASN . 55.7 Cg_endo -70.04 -27.76 24.75 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.933 2.422 . . . . 0.0 113.203 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -141.06 -68.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.508 0.671 . . . . 0.0 109.277 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -147.74 -53.97 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.179 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.79 175.52 5.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -91.02 70.28 6.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.731 0.3 . . . . 0.0 111.175 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' OD1' ' HG3' ' A' ' 4' ' ' PRO . 18.6 m120 55.95 25.11 8.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.959 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.39 142.41 7.83 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 mm -127.25 147.5 32.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -100.87 121.37 41.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.206 0.527 . . . . 0.0 110.17 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.68 HD21 ' HE2' ' B' ' 22' ' ' HIS . 0.2 OUTLIER -125.31 164.15 20.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.9 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.429 ' HA3' ' NZ ' ' B' ' 12' ' ' LYS . . . -145.61 136.28 6.37 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.424 -175.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 16' ' ' TYR . 3.3 t -118.6 165.54 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' B' ' 11' ' ' ILE . 4.6 m-85 -128.04 110.68 12.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.95 0.405 . . . . 0.0 110.309 171.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG12 HD21 ' B' ' 13' ' ' LEU . 32.1 pt -121.71 147.12 47.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.444 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.37 174.62 8.9 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.799 2.333 . . . . 0.0 113.823 -173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 1.6 tp-100 -50.51 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.399 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 33.4 mt-10 -49.34 -26.6 3.24 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.758 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -81.24 -53.36 6.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -176.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.36 -42.14 98.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.88 -52.78 61.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.452 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -73.5 -35.22 65.6 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.624 -175.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 25' ' ' LEU . 21.9 mt -64.11 -48.19 77.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.349 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.583 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 86.5 mmm -64.49 -30.6 71.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -66.18 -50.81 62.61 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.242 0.544 . . . . 0.0 110.088 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.63 -34.47 65.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.411 0.624 . . . . 0.0 109.441 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.37 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.642 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 26' ' ' MET . 55.8 mttp -77.22 -49.71 14.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -35.96 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.254 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -91.58 -10.97 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.667 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 57.0 51.35 10.68 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.787 0.803 . . . . 0.0 109.901 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.607 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.0 mt -130.09 167.22 18.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.186 -178.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 p -104.22 155.18 18.94 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -61.79 -24.66 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.008 ' HA ' HG23 ' B' ' 15' ' ' VAL . 23.0 m -60.41 -47.34 86.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.967 169.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 31.6 m-20 -61.71 -50.34 72.83 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.57 -32.5 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.056 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' B' ' 40' ' ' CYS . 2.2 t -70.46 -54.09 13.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.966 0.413 . . . . 0.0 111.274 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.949 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.1 OUTLIER -66.21 -31.91 73.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.108 -0.37 . . . . 0.0 111.87 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.5 -18.45 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' O ' ' HB2' ' B' ' 43' ' ' ALA . . . -71.75 -46.58 58.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.271 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.857 HG22 ' HA ' ' B' ' 40' ' ' CYS . 5.2 pt -69.4 -29.32 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.074 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 12.8 tmtt? -60.17 -44.82 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 172.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -68.73 -33.86 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.34 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -62.68 -46.7 86.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.679 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 79.8 mt -66.67 -44.93 80.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.86 -39.96 86.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.479 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -77.89 -16.92 57.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.619 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -92.23 -22.72 19.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.226 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -92.49 52.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.005 0.907 . . . . 0.0 110.021 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -82.25 -61.25 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 68.28 153.68 0.1 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.775 0.798 . . . . 0.0 112.833 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -120.9 99.69 6.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.785 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.602 -177.645 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -108.4 116.43 56.46 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.563 0.22 . . . . 0.0 110.655 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.5 -28.1 45.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.668 2.245 . . . . 0.0 111.374 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -145.31 -69.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.898 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HG3' HD22 ' B' ' 7' ' ' LEU . 38.3 pttt -150.46 -51.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.831 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' B' ' 6' ' ' LYS . 3.4 mm? -90.89 152.27 20.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -90.49 77.94 6.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.855 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.07 33.2 22.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.171 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.21 119.64 0.89 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.092 -1.052 . . . . 0.0 112.602 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.695 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 24.2 mm -108.84 151.65 11.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.665 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 56.0 tptt -100.39 126.05 46.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.541 0.686 . . . . 0.0 111.156 -172.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.667 HD21 HG12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -133.13 159.85 38.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.772 178.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 119.01 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.034 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 1.008 HG23 ' HA ' ' A' ' 37' ' ' SER . 25.0 t -108.13 145.17 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.48 0.181 . . . . 0.0 110.955 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.27 126.0 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.423 171.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.943 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 18.6 pt -140.77 155.91 69.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.775 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.27 156.83 23.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.564 2.843 . . . . 0.0 113.93 -177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.807 HE21 ' HA ' ' B' ' 19' ' ' GLN . 0.0 OUTLIER -66.19 -35.71 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.369 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.12 -34.88 61.42 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.749 0.785 . . . . 0.0 110.149 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.949 ' HZ3' ' HB2' ' A' ' 41' ' ' ARG . 38.3 m0 -76.74 -45.13 30.37 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.245 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.68 ' HE2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -56.15 -44.56 79.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 178.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.89 -51.24 66.6 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -73.15 -39.67 65.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.709 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.824 HD11 HD11 ' A' ' 44' ' ' ILE . 71.3 mt -66.19 -48.12 71.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 89.6 mmm -65.58 -25.51 67.44 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.039 0.447 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 5.0 tp10 -64.73 -49.84 69.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.93 -29.58 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.102 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.03 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 26' ' ' MET . 38.5 mttp -78.99 -40.01 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 28.8 mm-40 -60.64 -59.11 5.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.778 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -95.71 -2.44 47.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 65.89 55.18 0.97 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.679 0.752 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.45 166.17 15.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.438 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.436 ' O ' HG21 ' B' ' 39' ' ' VAL . 71.5 p -105.67 160.75 14.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.519 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 1.9 pt? -55.0 -42.56 72.67 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -43.2 91.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.503 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -63.25 -46.56 86.32 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.731 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.704 HG13 HD22 ' B' ' 25' ' ' LEU . 58.0 t -60.56 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 123.197 0.311 . . . . 0.0 111.493 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.857 ' HA ' HG22 ' A' ' 44' ' ' ILE . 17.6 m -65.91 -55.76 15.26 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.144 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.758 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 5.8 ppt_? -61.43 -30.71 70.74 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.73 -31.97 72.96 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.728 -0.607 . . . . 0.0 110.077 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -75.64 -21.47 57.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.657 176.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 53.9 mt -68.37 -39.29 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' B' ' 45' ' ' LYS . 13.2 tmtt? -56.33 -48.16 77.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.255 174.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -26.88 63.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.918 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -63.6 -49.96 71.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.3 mt -66.29 -45.08 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.912 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.97 -43.17 95.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.638 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -22.34 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.548 -176.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -89.33 -37.08 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.624 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -105.27 66.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.514 0.673 . . . . 0.0 109.956 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -89.94 -42.23 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 68.45 125.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.406 0.682 . . . . 0.0 112.113 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -82.45 86.12 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.891 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.141 -177.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.37 136.61 19.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.92 167.85 2.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 110.837 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.21 -32.5 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.978 -168.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 8' ' ' LEU . 12.3 pttm -99.76 18.81 17.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.535 171.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.96 -29.33 0.17 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.027 0.931 . . . . 0.0 112.874 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 6' ' ' LYS . 44.4 tp -86.55 130.57 34.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 25.2 t-20 -83.02 -24.14 32.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.025 -172.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.04 166.01 32.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 119.401 -1.38 . . . . 0.0 113.559 -171.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mm -110.98 158.34 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -173.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HD3' ' CZ ' ' B' ' 16' ' ' TYR . 23.3 tptm -100.11 123.4 44.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.525 . . . . 0.0 110.777 -175.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.6 OUTLIER -131.61 139.22 49.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.107 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.83 115.6 5.13 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.492 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.611 HG21 ' HA ' ' B' ' 37' ' ' SER . 40.3 t -104.56 134.44 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.708 0.29 . . . . 0.0 110.256 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -107.43 119.63 39.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 175.47 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.931 HD11 ' HE3' ' A' ' 21' ' ' TRP . 1.8 pt -136.41 149.73 68.51 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.381 178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.753 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 72.5 Cg_exo -52.1 144.93 35.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.42 2.747 . . . . 0.0 112.968 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.926 ' OE1' ' HD3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -68.07 -24.29 65.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.435 -178.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' OE2' ' ND2' ' B' ' 9' ' ' ASN . 18.4 mt-10 -55.43 -36.57 66.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.688 0.756 . . . . 0.0 109.891 173.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.931 ' HE3' HD11 ' A' ' 17' ' ' ILE . 45.0 m0 -77.98 -35.69 49.83 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.288 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.873 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 18.3 m-70 -59.49 -45.45 91.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.656 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.67 -53.12 61.34 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 111.187 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -71.2 -45.8 62.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD11 HD12 ' B' ' 44' ' ' ILE . 78.2 mt -67.64 -37.86 83.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.549 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.4 mmm -64.36 -31.18 72.28 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.492 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.79 -43.92 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.425 0.631 . . . . 0.0 109.728 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.28 -36.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.877 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.37 -29.14 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.694 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 26' ' ' MET . 52.1 mttp -79.2 -32.92 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.57 -42.74 98.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.044 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.29 -7.27 39.25 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.22 57.27 2.99 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.956 0.884 . . . . 0.0 109.686 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.609 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 74.8 mt -138.73 168.48 19.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.955 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -103.5 144.3 31.59 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 HD11 HD11 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -59.13 -18.38 35.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 p -62.76 -49.23 75.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.413 171.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 15.4 t70 -66.77 -39.67 87.93 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.265 0.555 . . . . 0.0 109.875 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.38 -31.64 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.746 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 4.3 t -69.6 -48.42 60.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.748 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 5.1 ppt_? -62.73 -34.72 77.78 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.906 -0.497 . . . . 0.0 110.62 172.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 75.5 mt -64.3 -28.55 69.79 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.615 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.07 -30.47 65.16 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.837 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 32.1 mt -67.69 -42.0 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -58.3 -38.67 77.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.395 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.52 -36.82 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.426 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.449 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 83.0 mt -66.02 -49.54 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.35 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.85 -29.04 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.4 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -81.86 -44.73 16.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.135 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -88.21 -26.94 22.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -171.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -102.14 130.19 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -106.71 -47.02 3.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -157.12 32.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -95.8 142.02 28.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.845 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.788 -177.552 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -121.23 139.36 29.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.606 ' HB3' ' HB2' ' B' ' 9' ' ' ASN . 51.7 Cg_exo -56.02 144.98 77.08 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.558 2.172 . . . . 0.0 111.277 174.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -81.54 -15.17 55.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -170.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.926 ' HD3' ' OE1' ' A' ' 19' ' ' GLN . 12.5 ptmm? -148.31 50.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.098 0.475 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.1 mt 65.0 -77.99 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.64 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 10' ' ' GLY . 29.8 tp -92.9 93.33 8.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.301 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.4 t-20 -79.47 43.68 0.57 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.087 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -165.45 133.84 3.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.873 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 26.6 mm -115.71 159.93 15.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 22.1 tptm -99.42 133.04 44.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.147 0.499 . . . . 0.0 111.723 -170.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.731 HD23 HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -134.77 132.51 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.254 174.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.48 123.5 7.71 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.989 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.432 HG12 ' HB3' ' A' ' 41' ' ' ARG . 10.5 t -113.99 152.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.729 0.299 . . . . 0.0 110.981 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.502 ' CZ ' ' HD3' ' A' ' 12' ' ' LYS . 11.1 m-85 -118.53 120.73 38.39 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.116 169.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.631 HD11 ' HE3' ' B' ' 21' ' ' TRP . 30.3 pt -129.56 144.22 52.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 51.2 Cg_exo -54.39 157.7 11.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.866 3.044 . . . . 0.0 113.869 -173.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -62.61 -31.88 72.79 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.626 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.98 -30.44 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.737 0.779 . . . . 0.0 109.97 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.748 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 7.8 m0 -79.04 -45.0 21.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.594 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' B' ' 26' ' ' MET . 22.2 t-80 -56.54 -37.18 70.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.864 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.9 -59.04 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.476 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -70.93 -49.56 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.821 -174.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.73 -47.92 76.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.512 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 97.0 mmm -67.01 -27.11 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.698 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' B' ' 27' ' ' GLU . 4.7 tp10 -65.15 -42.02 94.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.393 173.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.12 -31.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.73 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.68 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.424 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.47 -43.86 22.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 0.0 109.606 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.95 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.096 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -95.56 -1.88 49.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 64.79 56.06 1.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.683 0.754 . . . . 0.0 110.315 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -133.78 166.37 22.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.109 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.413 ' O ' HG23 ' B' ' 39' ' ' VAL . 44.7 p -104.51 159.85 15.41 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 172.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.3 pt? -59.03 -32.99 70.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.989 0.423 . . . . 0.0 110.145 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.611 ' HA ' HG21 ' A' ' 15' ' ' VAL . 20.1 m -59.0 -46.2 88.76 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.759 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 27.1 m-20 -63.3 -41.63 98.98 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.308 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 35' ' ' THR . 62.5 t -61.55 -36.15 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -65.47 -61.2 2.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.996 0.426 . . . . 0.0 110.243 -178.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.92 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 4.5 ppt_? -59.0 -33.02 70.23 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 77.2 mt -68.42 -27.36 66.13 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 109.787 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -37.42 65.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.671 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 25' ' ' LEU . 2.7 pt -69.54 -28.93 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.715 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -56.02 -48.63 75.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.245 0.545 . . . . 0.0 109.743 171.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.12 -31.47 69.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.741 0.781 . . . . 0.0 109.835 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.41 ' HB3' ' HA ' ' B' ' 44' ' ' ILE . 58.2 t80 -64.55 -42.42 95.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.429 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.0 mt -65.69 -46.07 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.387 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.26 -47.05 82.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -82.02 -19.73 39.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -91.84 -33.12 15.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.356 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -123.99 113.39 18.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -111.43 4.81 19.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.081 -166.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.0 -48.85 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -84.44 166.13 17.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.0 111.476 -174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.74 -175.066 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 112.071 -0.411 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -99.97 120.23 57.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -39.56 100.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.333 4.022 . . . . 0.0 115.601 -165.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 66.27 -73.05 0.07 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.012 -0.994 . . . . 0.0 113.567 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.19 37.68 3.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.46 90.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.603 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB3' HD11 ' A' ' 11' ' ' ILE . 3.3 mm? 66.02 95.3 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.595 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -87.24 -18.49 30.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.23 143.38 8.72 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 8' ' ' LEU . 15.4 mm -118.74 158.26 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -99.95 131.72 45.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.36 0.6 . . . . 0.0 111.488 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -127.16 136.61 52.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.503 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.43 118.22 5.88 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.037 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 25.6 t -108.22 144.61 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.64 121.45 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.525 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.662 HD11 ' HE3' ' A' ' 21' ' ' TRP . 30.1 pt -139.68 152.63 68.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.787 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 37.1 Cg_endo -64.91 168.21 14.16 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.335 2.69 . . . . 0.0 113.197 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 1.7 pt20 -72.88 -28.05 62.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.381 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.9 -39.37 74.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.015 0.912 . . . . 0.0 109.135 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' B' ' 44' ' ' ILE . 5.2 m0 -73.91 -43.91 56.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.257 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 1.4 m-70 -58.48 -42.25 87.09 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.267 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.75 -49.63 76.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.113 0.482 . . . . 0.0 110.966 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -71.74 -39.12 70.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.285 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD22 HD12 ' B' ' 44' ' ' ILE . 1.5 mm? -63.29 -48.76 76.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.13 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.519 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 21.4 mmt -62.21 -40.06 94.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.8 -45.81 73.72 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.567 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.53 -38.65 82.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 110.671 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.86 -44.63 96.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ1' ' HB3' ' A' ' 26' ' ' MET . 60.0 mttp -77.56 -26.32 50.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.308 0.575 . . . . 0.0 110.058 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.08 -42.78 99.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.558 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -95.51 -3.01 47.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.78 40.76 5.43 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.553 0.692 . . . . 0.0 111.11 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 92.5 mt -126.28 168.66 13.8 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.522 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -103.34 156.86 17.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -57.09 -32.93 66.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.575 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' HG21 ' B' ' 15' ' ' VAL . 9.3 m -56.36 -45.8 80.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.686 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 66.1 m-20 -64.15 -44.9 90.71 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.008 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.888 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 0.1 OUTLIER -68.78 -54.34 16.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.363 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.686 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.5 ppt_? -60.19 -34.3 73.42 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.917 -0.489 . . . . 0.0 111.983 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 87.8 mt -68.31 -29.79 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.315 0.578 . . . . 0.0 109.562 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.27 -28.16 62.94 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.55 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 63.5 mt -66.98 -37.59 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -59.95 -38.71 83.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.355 173.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.655 ' HG3' ' CD1' ' B' ' 47' ' ' TYR . 12.1 mm-40 -68.85 -35.7 77.25 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.518 0.675 . . . . 0.0 109.346 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -63.5 -45.47 90.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.797 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD21 HD11 ' B' ' 25' ' ' LEU . 84.3 mt -67.35 -38.95 85.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.909 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.77 -47.32 84.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.6 -36.46 23.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -89.6 -66.25 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.171 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' A' ' 55' ' ' LYS . 31.9 t70 62.49 131.17 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -135.07 -47.63 0.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.253 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -152.01 138.62 18.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.667 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' A' ' 52' ' ' ASP . 65.7 mttt -110.45 14.2 22.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.44 -171.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.651 ' O ' ' NH2' ' B' ' 24' ' ' ARG . 59.4 pttt . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.643 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.755 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 87.9 mtm180 -130.57 88.16 47.78 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 159.94 41.95 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.374 2.716 . . . . 0.0 113.556 -173.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 64.56 -91.03 0.03 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.65 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -149.45 84.72 1.43 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.347 0.594 . . . . 0.0 110.254 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.755 ' HA ' ' HB3' ' B' ' 3' ' ' ARG . 1.8 mm? 58.78 41.92 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.669 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.464 HD22 ' HG2' ' B' ' 3' ' ' ARG . 3.7 mm? 70.8 136.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.775 0.797 . . . . 0.0 111.791 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.52 18.55 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.286 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.04 112.75 0.52 Allowed Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.173 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.514 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.4 mm -104.85 154.93 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -98.02 123.58 42.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.62 0.724 . . . . 0.0 111.603 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.542 HD23 HG12 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -129.94 135.02 47.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.739 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 121.8 7.14 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.108 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.665 HG21 ' HA ' ' A' ' 37' ' ' SER . 50.7 t -104.39 154.53 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.47 126.67 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.525 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.705 HD11 ' HE3' ' B' ' 21' ' ' TRP . 27.1 pt -143.12 155.72 61.79 Favored Pre-proline 0 C--O 1.235 0.333 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.143 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.17 158.84 6.39 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.703 2.935 . . . . 0.0 113.508 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.507 ' HG3' ' OE2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -76.14 -31.74 58.75 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.126 179.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.507 ' OE2' ' HG3' ' B' ' 19' ' ' GLN . 2.1 pm0 -61.1 -23.97 65.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.298 171.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.705 ' HE3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -80.78 -42.77 21.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.428 176.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' B' ' 26' ' ' MET . 13.5 m-70 -59.76 -35.72 75.18 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.149 0.5 . . . . 0.0 109.845 174.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.81 -64.78 0.81 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.208 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.651 ' NH2' ' O ' ' A' ' 56' ' ' LYS . 52.6 mmt-85 -73.35 -51.9 15.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.0 mm? -65.77 -40.25 91.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.396 -171.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.577 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -68.48 -29.55 68.19 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.276 178.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.69 -37.62 85.11 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.611 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.409 HD13 HD12 ' B' ' 25' ' ' LEU . 73.3 mt -65.81 -35.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.524 0.678 . . . . 0.0 109.265 174.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.31 -29.26 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.912 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 26' ' ' MET . 59.1 mttp -78.41 -39.66 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.752 ' HG3' ' HZ1' ' B' ' 32' ' ' LYS . 15.8 tp10 -61.61 -43.99 97.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.266 -1.333 . . . . 0.0 111.104 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -95.82 -2.95 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -176.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m120 64.97 44.76 3.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.512 0.672 . . . . 0.0 111.119 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -132.92 169.31 16.96 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.928 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.1 p -103.28 160.25 14.84 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -60.28 -32.91 71.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.804 0.335 . . . . 0.0 110.372 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -58.37 -41.55 85.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.45 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.616 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.5 m-20 -63.32 -48.78 76.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.051 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.05 -35.14 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.76 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.888 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.9 t -65.51 -56.1 14.19 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.97 0.414 . . . . 0.0 110.718 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.747 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 4.4 ppt_? -63.95 -37.3 86.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.6 mt -67.3 -23.97 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.565 -0.709 . . . . 0.0 109.92 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.43 69.55 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.757 HD13 ' CZ3' ' A' ' 21' ' ' TRP . 33.6 pt -70.46 -26.19 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.421 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.67 -42.78 97.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.028 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.84 -35.4 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.715 0.769 . . . . 0.0 108.984 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 58.3 t80 -62.08 -45.47 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.348 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.6 mt -65.83 -47.83 73.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.606 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -63.08 -38.54 91.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.271 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.421 ' N ' HD21 ' B' ' 50' ' ' ASN . 0.9 OUTLIER -77.83 -34.34 51.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.021 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -88.33 -51.99 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' B' ' 55' ' ' LYS . 10.2 t0 53.64 100.71 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 171.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.65 -16.68 8.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.585 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -157.39 151.14 24.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.798 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 14.6 mptt -104.56 -7.55 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.246 0.546 . . . . 0.0 109.967 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.0 pttt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.347 -178.233 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.654 ' HG3' ' HA ' ' A' ' 7' ' ' LEU . 56.9 ttp180 -160.91 81.57 2.1 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.804 0.302 . . . . 0.0 111.275 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.05 -52.42 0.91 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.432 2.088 . . . . 0.0 111.149 172.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -143.61 -75.07 0.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.79 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 46.92 1.36 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.654 ' HA ' ' HG3' ' A' ' 3' ' ' ARG . 46.8 tp 59.75 -94.41 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.927 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 90.4 mt -91.07 112.0 23.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.843 0.354 . . . . 0.0 110.472 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.786 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 19.2 p-10 -83.26 63.57 7.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.835 0.826 . . . . 0.0 109.444 174.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.24 129.15 2.16 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.895 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 4.7 mp -129.59 149.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -172.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 4.8 tmmm? -100.53 127.89 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.403 0.62 . . . . 0.0 110.073 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.624 ' HB3' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -121.96 150.54 41.88 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.524 -175.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.46 111.26 3.97 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.623 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.706 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 34.7 t -103.71 141.36 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 121.74 39.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.328 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.746 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.3 pt -139.91 149.62 59.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.858 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 33.4 Cg_exo -59.05 160.17 19.52 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.717 2.945 . . . . 0.0 114.041 -175.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.937 ' OE1' ' HG2' ' B' ' 6' ' ' LYS . 19.8 pt20 -63.9 -30.09 71.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.433 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 27.3 mt-10 -56.53 -37.63 70.73 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.952 0.882 . . . . 0.0 109.501 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.746 ' HE3' HD12 ' A' ' 17' ' ' ILE . 13.9 m0 -77.57 -52.51 8.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.657 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CD2' HG23 ' B' ' 11' ' ' ILE . 36.3 t-80 -53.58 -44.81 69.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.44 -50.82 68.24 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.1 mpt_? -74.2 -35.79 63.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.897 0.379 . . . . 0.0 111.072 -174.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 3.6 mm? -66.49 -48.74 68.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.76 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.0 mmm -63.72 -27.07 68.96 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.79 -54.02 45.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.542 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.61 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.303 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.273 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -78.0 -32.77 51.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -49.89 74.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.937 176.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -87.33 -5.2 58.98 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.87 45.55 3.22 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.241 0.543 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 94.0 mt -129.33 166.5 19.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.597 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 39' ' ' VAL . 75.1 p -104.83 157.07 17.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -59.82 -27.71 66.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.353 . . . . 0.0 110.226 174.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.033 ' HA ' HG21 ' B' ' 15' ' ' VAL . 14.2 m -60.14 -48.37 81.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 170.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.513 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 36.3 m-20 -63.71 -47.7 80.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 35' ' ' THR . 56.4 t -63.85 -28.9 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.1 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 t -69.87 -51.2 35.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.523 ' HB2' ' CZ3' ' B' ' 21' ' ' TRP . 4.8 ppt_? -67.13 -31.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.975 -0.453 . . . . 0.0 111.292 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.52 -21.23 61.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.319 0.58 . . . . 0.0 110.259 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB3' HG12 ' B' ' 44' ' ' ILE . . . -70.17 -50.48 39.84 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.032 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.722 HG21 ' HA ' ' B' ' 40' ' ' CYS . 1.6 pt -70.01 -22.03 24.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -56.65 -49.71 74.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.14 0.495 . . . . 0.0 109.679 170.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.13 -36.17 72.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.91 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 72.5 t80 -61.19 -42.25 98.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.571 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 78.3 mt -63.8 -50.87 67.27 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.763 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -60.33 -36.88 78.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -78.07 -28.52 48.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 47' ' ' TYR . 7.4 p80 -95.02 -31.65 13.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.548 177.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 6.8 t70 51.45 -149.71 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.8 176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 25.7 mmmt -93.63 -47.12 6.96 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 54' ' ' GLN . 2.1 pt20 -155.37 -178.36 7.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.848 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -122.4 126.42 47.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.407 . . . . 0.0 110.604 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.375 -0.822 . . . . 0.0 109.921 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.824 ' HG3' ' HA ' ' B' ' 7' ' ' LEU . 12.8 ttp180 -140.36 77.16 24.59 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 122.697 -0.296 . . . . 0.0 110.982 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.85 -48.3 7.1 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.492 2.128 . . . . 0.0 112.322 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -146.48 -80.85 0.15 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.703 0.287 . . . . 0.0 111.113 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.937 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -89.56 55.79 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.804 0.335 . . . . 0.0 110.817 -177.676 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.824 ' HA ' ' HG3' ' B' ' 3' ' ' ARG . 37.1 tp 63.82 -91.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.012 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.8 mt -93.81 120.15 33.71 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.708 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.6 p-10 -82.07 56.42 3.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.316 0.579 . . . . 0.0 110.942 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.858 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -158.53 147.66 15.69 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.408 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.753 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 3.7 mp -119.46 150.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.675 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -100.53 130.15 46.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 109.949 -176.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -128.86 139.85 51.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.599 -176.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.26 118.95 6.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 1.033 HG21 ' HA ' ' A' ' 37' ' ' SER . 37.2 t -110.7 146.02 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -109.44 124.87 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.736 HD12 ' HE3' ' B' ' 21' ' ' TRP . 25.1 pt -140.51 150.45 60.73 Favored Pre-proline 0 C--O 1.236 0.391 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.786 ' HA ' ' O ' ' A' ' 9' ' ' ASN . 36.4 Cg_exo -61.87 156.11 50.76 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.876 3.051 . . . . 0.0 113.582 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.07 -24.78 61.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.119 -176.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.581 ' CD ' HD21 ' A' ' 9' ' ' ASN . 2.2 mp0 -55.3 -33.45 63.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 173.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.736 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -79.12 -43.56 23.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.706 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.895 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 47.5 m-70 -55.46 -40.79 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.28 -65.76 0.62 Allowed 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -73.08 -48.75 33.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.721 -171.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.622 HD11 HD21 ' A' ' 48' ' ' LEU . 4.2 mm? -66.2 -45.13 81.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.607 -174.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.669 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 81.7 mmm -66.12 -30.52 71.03 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.923 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.07 -38.16 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.401 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.39 -37.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.556 175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.86 -25.51 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.525 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 26' ' ' MET . 33.3 mmtp -77.77 -43.14 31.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -46.33 89.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -92.12 -2.05 56.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.67 51.98 0.78 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.203 0.525 . . . . 0.0 111.545 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.489 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.3 mt -134.69 167.18 21.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.905 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 39' ' ' VAL . 80.1 p -104.64 164.22 11.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 169.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.648 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 2.2 pt? -56.36 -39.89 73.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 14.6 m -56.26 -43.52 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.608 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 58.4 m-20 -64.05 -45.6 88.1 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 35' ' ' THR . 57.2 t -61.91 -42.42 94.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -175.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.722 ' HA ' HG21 ' A' ' 44' ' ' ILE . 24.8 m -63.7 -57.28 10.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.608 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.4 ppt_? -62.01 -33.72 74.87 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 55.5 mt -66.36 -31.98 73.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.376 0.608 . . . . 0.0 109.75 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.91 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -73.16 -22.22 60.54 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.434 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 65.6 mt -67.27 -42.04 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.19 -40.48 81.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.039 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.09 -38.42 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.4 0.619 . . . . 0.0 109.957 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -62.14 -43.69 98.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.936 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 62.0 mt -69.44 -56.44 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.731 176.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -63.9 -13.83 48.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.514 -172.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.444 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 40.2 t-20 -68.56 -58.13 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.557 ' HA ' ' HE3' ' B' ' 55' ' ' LYS . 32.5 p-80 -95.27 -16.0 22.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.481 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 53' ' ' LYS . 10.2 t70 53.71 -140.21 0.96 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.525 0.516 . . . . 0.0 109.928 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.437 ' H ' ' CG ' ' B' ' 52' ' ' ASP . 27.9 mmmt -78.69 -44.86 22.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -156.58 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.826 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.557 ' HE3' ' HA ' ' B' ' 51' ' ' HIS . 94.6 mttt -101.55 124.7 47.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.522 -177.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.59 ' HD2' HD12 ' A' ' 8' ' ' LEU . 23.9 mmt180 -102.21 104.97 40.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HB2' ' OE1' ' B' ' 19' ' ' GLN . 4.7 Cg_exo -74.65 148.3 36.77 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.676 2.25 . . . . 0.0 111.461 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.11 61.39 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.118 0.485 . . . . 0.0 111.888 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -140.14 -80.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.83 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.9 tp -147.21 50.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.334 0.588 . . . . 0.0 109.946 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD12 ' HD2' ' A' ' 3' ' ' ARG . 3.1 mm? 54.91 41.05 32.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.717 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.496 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . 8.3 t-20 55.52 46.17 23.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.985 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.27 105.01 0.25 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.758 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.82 141.51 20.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -100.69 122.32 43.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.702 HD13 HD13 ' B' ' 36' ' ' LEU . 1.3 pt? -133.59 133.72 42.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.936 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.568 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -103.7 129.93 10.05 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.92 175.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' B' ' 37' ' ' SER . 43.9 t -112.47 152.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -116.52 120.66 39.43 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.568 0.223 . . . . 0.0 110.728 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.866 HD13 ' HE3' ' A' ' 21' ' ' TRP . 6.7 pt -140.63 156.04 69.31 Favored Pre-proline 0 C--N 1.32 -0.688 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.714 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.889 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 63.3 Cg_exo -53.79 145.9 47.93 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.336 2.69 . . . . 0.0 112.705 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.32 ' OE1' ' HG3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -75.3 -11.78 60.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.798 -178.14 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.8 mt-10 -53.91 -42.18 68.46 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.862 0.839 . . . . 0.0 109.008 169.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.866 ' HE3' HD13 ' A' ' 17' ' ' ILE . 36.7 m0 -80.64 -34.66 34.76 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.078 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 1.25 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 42.2 m-70 -56.54 -38.14 71.46 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.904 175.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.55 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.04 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 12.0 mpt_? -73.03 -44.82 60.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.782 -172.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 HD12 ' B' ' 44' ' ' ILE . 66.4 mt -63.49 -47.21 82.68 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.265 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.477 ' SD ' HD22 ' A' ' 36' ' ' LEU . 88.1 mmm -67.43 -29.23 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.679 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.53 -49.31 66.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.076 0.465 . . . . 0.0 109.837 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 24' ' ' ARG . 66.1 mt -62.23 -35.65 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 109.755 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.08 -28.39 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -75.57 -45.21 39.13 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.32 -37.63 88.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.381 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.69 -5.49 42.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -174.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.35 43.07 2.79 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.778 0.799 . . . . 0.0 111.092 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.633 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.6 mt -128.54 170.05 13.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.392 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -109.15 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.963 168.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.98 -37.21 76.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.338 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' B' ' 15' ' ' VAL . 20.1 m -57.22 -43.78 83.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.505 176.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.586 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 44.8 m-20 -62.77 -51.17 68.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.4 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.09 -35.47 68.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.022 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.673 ' HA ' ' CG2' ' B' ' 44' ' ' ILE . 3.7 t -71.19 -53.55 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.518 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.667 ' HB3' HG12 ' B' ' 15' ' ' VAL . 6.4 ppt_? -61.48 -37.89 85.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.749 -0.595 . . . . 0.0 111.493 173.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.76 -23.71 66.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 121.664 -0.647 . . . . 0.0 109.909 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.688 ' HB3' HG22 ' B' ' 44' ' ' ILE . . . -71.78 -33.43 68.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.725 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.633 ' CG1' ' HA ' ' B' ' 40' ' ' CYS . 47.2 mt -67.01 -42.67 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.38 -41.97 86.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.133 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' CB ' ' HD1' ' B' ' 47' ' ' TYR . 4.2 tp10 -70.58 -34.6 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' B' ' 43' ' ' ALA . 59.0 t80 -63.89 -48.66 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.249 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.9 mt -67.88 -54.46 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.534 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.9 -32.99 72.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.371 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -16.85 52.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.902 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -92.52 -51.32 5.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.245 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -93.48 74.19 4.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.222 1.011 . . . . 0.0 108.791 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.61 -68.46 0.66 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.174 -1.376 . . . . 0.0 110.961 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -93.6 6.19 49.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.364 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -120.42 93.72 4.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.062 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.429 ' O ' ' HD3' ' B' ' 4' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -88.81 110.6 38.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.588 0.232 . . . . 0.0 110.44 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' B' ' 2' ' ' GLY . 2.0 Cg_endo -85.19 176.33 5.9 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.791 2.328 . . . . 0.0 110.936 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -86.27 -10.54 54.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.556 0.693 . . . . 0.0 109.336 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 1.32 ' HG3' ' OE1' ' A' ' 19' ' ' GLN . 72.0 mmtt -93.89 -174.51 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.796 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -87.13 67.34 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.74 -174.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 56.84 28.87 15.14 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.874 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.889 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 65.4 t30 53.36 49.96 18.56 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.482 0.658 . . . . 0.0 110.616 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . -159.12 106.31 0.28 Allowed Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 1.25 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 34.8 mm -114.78 159.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -171.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.568 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -99.22 122.65 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.443 0.464 . . . . 0.0 110.068 -171.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.775 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -125.6 135.6 52.37 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.081 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.411 ' C ' ' HG ' ' A' ' 37' ' ' SER . . . -103.25 120.79 6.89 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.31 -177.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 41' ' ' ARG . 14.9 t -107.31 158.77 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.05 116.6 14.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' B' ' 21' ' ' TRP . 31.5 pt -140.55 150.37 60.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.957 -175.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.481 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 19.4 Cg_endo -61.45 163.78 16.98 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.926 2.417 . . . . 0.0 113.439 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.667 ' OE1' ' HB2' ' A' ' 4' ' ' PRO . 18.1 pt20 -66.51 -31.77 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.676 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.53 -35.99 54.57 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.988 0.899 . . . . 0.0 109.89 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.524 ' HB3' HD13 ' B' ' 17' ' ' ILE . 2.6 m95 -75.89 -56.7 4.42 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.18 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.568 ' O ' ' HG2' ' B' ' 26' ' ' MET . 28.3 t-80 -54.87 -43.08 72.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.53 -51.6 69.17 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -71.73 -35.25 70.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 65.8 mt -65.52 -40.25 92.77 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.969 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 91.0 mmm -62.57 -38.92 91.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.382 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.08 -44.72 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.083 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.03 -39.83 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.516 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' B' ' 34' ' ' LEU . . . -62.89 -34.81 78.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -78.23 -34.55 49.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.551 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.04 -46.67 83.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.285 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -2.65 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.05 50.53 1.43 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.49 0.662 . . . . 0.0 111.24 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 85.0 mt -135.59 168.36 19.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.82 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -104.43 164.91 11.41 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.042 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.702 HD13 HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.422 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.757 ' HA ' HG21 ' A' ' 15' ' ' VAL . 20.3 m -58.09 -39.9 79.77 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.279 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.572 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 69.2 m-20 -64.64 -44.12 91.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.411 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -35.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.732 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.633 ' HA ' ' CG1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -65.65 -64.75 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.821 0.344 . . . . 0.0 110.206 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.9 ppt_? -58.09 -33.83 69.5 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.68 -33.89 74.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.137 -0.977 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -72.6 -29.43 63.49 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.378 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.688 HG22 ' HB3' ' A' ' 43' ' ' ALA . 7.3 pt -72.42 -31.32 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.456 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -62.0 -34.66 76.59 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.478 173.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.84 -39.92 76.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.685 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.437 ' HD1' ' CB ' ' A' ' 46' ' ' GLU . 40.1 t80 -66.74 -45.15 79.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.248 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 78.6 mt -66.5 -45.65 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.445 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.65 -35.38 79.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.711 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' B' ' 47' ' ' TYR . 4.2 p30 -81.75 -15.48 54.17 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.76 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -92.35 -43.9 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.593 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -92.67 76.5 4.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.693 ' HG2' ' HG3' ' B' ' 54' ' ' GLN . 38.7 ttmt -48.57 -58.29 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.007 0.817 . . . . 0.0 110.771 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.693 ' HG3' ' HG2' ' B' ' 53' ' ' LYS . 44.0 mt-30 -144.61 25.28 1.49 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.914 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -111.77 38.52 2.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.2 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.036 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -97.6 113.49 63.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 54.6 Cg_endo -75.49 92.05 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.592 2.195 . . . . 0.0 113.325 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 66.67 -68.97 0.13 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.79 0.836 . . . . 0.0 112.782 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HG3' ' H ' ' A' ' 7' ' ' LEU . 14.6 ptmt -143.69 -68.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.375 -172.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' H ' ' HG3' ' A' ' 6' ' ' LYS . 63.5 mt -97.38 170.08 9.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.8 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -172.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 65.08 -69.94 0.09 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.682 0.793 . . . . 0.0 112.17 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.73 128.9 9.71 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.429 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 13.0 mm -114.74 150.03 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -173.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -99.9 132.15 45.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.343 0.592 . . . . 0.0 111.167 -168.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -129.63 145.01 51.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.789 178.443 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.695 ' CA ' ' HE3' ' B' ' 12' ' ' LYS . . . -102.39 122.01 7.38 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.861 -177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.973 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 8.8 t -113.8 150.74 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.624 ' CZ ' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -133.11 117.62 17.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.695 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 31.0 pt -138.26 159.21 69.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.681 -176.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.695 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 36.9 Cg_endo -63.72 162.13 29.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.005 2.47 . . . . 0.0 113.463 -170.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.519 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 mm-40 -60.5 -30.39 69.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 0.7 OUTLIER -78.57 -45.2 22.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.862 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 42.5 m-70 -58.77 -44.87 90.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.555 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -57.93 -51.94 67.56 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.256 0.348 . . . . 0.0 111.723 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 52.6 mmt-85 -76.27 -40.3 52.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.952 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.61 -49.06 72.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.797 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.461 ' SD ' HD23 ' A' ' 36' ' ' LEU . 98.0 mmm -66.03 -25.59 67.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.71 0.29 . . . . 0.0 111.213 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.61 -47.87 68.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.822 177.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.86 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 109.207 173.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -64.18 -19.11 65.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.825 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 26' ' ' MET . 62.0 mttp -80.31 -45.86 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -62.41 -45.91 90.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.39 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -95.24 -7.54 38.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.435 -170.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 63.0 68.82 0.61 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.655 0.741 . . . . 0.0 110.905 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.668 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 93.4 mt -139.59 168.49 19.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.795 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 p -104.83 153.02 21.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD23 ' SD ' ' A' ' 26' ' ' MET . 2.5 pt? -57.78 -33.85 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.335 0.516 . . . . 0.0 110.298 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.79 ' HA ' HG23 ' B' ' 15' ' ' VAL . 5.7 m -56.07 -43.2 77.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.217 176.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 64.8 m-20 -62.77 -39.8 95.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.67 -36.08 75.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.281 -176.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.655 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 3.7 m -69.62 -51.36 35.7 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.13 0.49 . . . . 0.0 110.271 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.856 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -48.99 -48.11 43.67 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.298 170.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 93.6 mt -67.83 -30.43 69.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.458 . . . . 0.0 110.44 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 43' ' ' ALA . . . -71.34 -32.81 68.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.884 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.5 mt -65.43 -39.52 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -56.67 -47.19 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.904 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -71.07 -36.25 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -62.39 -44.0 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.488 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 81.7 mt -64.81 -37.59 88.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.264 0.554 . . . . 0.0 110.079 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.45 -43.56 97.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.534 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' ND2' ' OE2' ' B' ' 46' ' ' GLU . 63.5 m-20 -74.05 -31.93 63.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.705 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -90.7 -4.71 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.402 -175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 23.5 t70 60.72 -172.45 0.13 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.101 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 47.0 tttp -81.48 -41.54 21.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.136 0.493 . . . . 0.0 110.538 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 29.6 pt20 -86.95 148.22 25.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.341 -173.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 3.1 mptp? -129.41 84.02 2.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tptp . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.982 -178.143 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -159.17 96.23 1.69 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.83 88.68 0.1 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.441 2.761 . . . . 0.0 112.833 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.3 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.674 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.463 ' HG3' ' HG ' ' B' ' 7' ' ' LEU . 20.4 ptmt -141.79 4.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.379 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' B' ' 6' ' ' LYS . 89.2 mt -142.89 157.42 44.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -175.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.51 62.22 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.724 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 57.3 m-80 71.71 -44.24 0.59 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.834 0.853 . . . . 0.0 112.802 177.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -159.36 167.26 35.0 Favored Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.006 -172.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.862 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.2 mm -110.81 161.47 9.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.851 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 22.2 tptm -99.39 131.46 45.39 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 111.105 -173.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.973 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 1.1 pt? -135.4 166.27 23.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.62 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.49 127.56 2.87 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.58 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.79 HG23 ' HA ' ' A' ' 37' ' ' SER . 61.2 t -104.72 146.89 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.03 116.82 32.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.662 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.856 HG22 ' CG ' ' A' ' 41' ' ' ARG . 25.9 pt -139.63 149.78 60.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 177.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.83 151.37 20.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.436 2.757 . . . . 0.0 113.071 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.5 -25.33 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 21.7 mm-40 -59.11 -32.47 69.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.316 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 41' ' ' ARG . 13.3 m0 -75.52 -44.06 45.61 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.429 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.1 m-70 -51.18 -52.17 46.76 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.628 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.36 -49.44 77.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 67.6 mmt-85 -71.87 -46.33 58.26 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.456 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 39' ' ' VAL . 92.5 mt -66.42 -46.28 77.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.994 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.688 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 93.4 mmm -64.85 -24.66 67.61 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -67.16 -48.44 68.0 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.243 0.544 . . . . 0.0 109.826 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.52 -35.05 68.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.847 0.832 . . . . 0.0 108.807 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.96 -20.91 66.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.017 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.688 ' HG3' ' O ' ' B' ' 26' ' ' MET . 97.4 mttt -79.53 -43.76 22.47 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.623 ' HB2' ' HD2' ' B' ' 32' ' ' LYS . 46.9 mt-10 -60.22 -54.5 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 11.2 mptt -92.61 -1.57 56.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 t30 63.66 64.09 0.81 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.93 0.871 . . . . 0.0 110.189 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.738 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.3 mt -132.4 168.74 17.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.386 -177.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.1 p -114.12 162.29 16.68 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.78 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.4 pt? -61.2 -29.31 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.139 0.427 . . . . 0.0 110.154 173.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.469 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.53 -46.66 86.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.922 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.694 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 28.1 m-20 -65.17 -42.9 93.25 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.054 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.526 HG13 HD23 ' B' ' 25' ' ' LEU . 61.1 t -63.83 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.073 0.463 . . . . 0.0 110.683 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.655 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.94 -39.07 92.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.492 178.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.767 HH11 HD21 ' B' ' 42' ' ' LEU . 3.0 tmt_? -61.02 -45.47 94.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.247 172.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.767 HD21 HH11 ' B' ' 41' ' ' ARG . 79.8 mt -64.63 -29.39 70.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.299 0.571 . . . . 0.0 110.392 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -70.64 -46.58 63.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.399 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.598 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -67.65 -29.16 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.785 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.85 -45.34 92.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.536 ' OE2' ' ND2' ' A' ' 50' ' ' ASN . 33.1 tt0 -73.08 -31.86 64.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.477 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 63.3 t80 -59.96 -41.82 92.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.726 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.9 mt -65.39 -54.59 26.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.575 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.67 -26.19 68.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.156 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -73.94 -35.54 64.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.567 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 73.1 m-70 -89.92 -19.17 24.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 64.69 -74.88 0.05 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.221 -1.354 . . . . 0.0 113.676 166.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -165.93 -38.41 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.46 0.647 . . . . 0.0 109.658 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.88 85.74 7.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.196 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -83.84 79.75 9.37 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 tptp . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.603 -176.246 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -111.26 136.31 20.92 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.717 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 10.3 Cg_exo -72.33 -155.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.654 2.236 . . . . 0.0 110.959 174.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -81.4 129.89 34.82 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.824 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 60.78 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.125 0.97 . . . . 0.0 112.516 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.7 tp -145.14 78.0 1.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' HA ' ' HG2' ' A' ' 4' ' ' PRO . 84.5 mt 59.91 19.64 8.63 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.335 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 t30 55.22 53.11 10.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.075 0.94 . . . . 0.0 109.551 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.75 104.89 0.26 Allowed Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.797 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.77 161.7 4.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -172.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -98.52 131.01 45.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 110.84 -171.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD21 ' CE1' ' B' ' 22' ' ' HIS . 0.9 OUTLIER -133.57 128.77 35.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.699 177.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.0 120.54 6.71 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.443 -0.885 . . . . 0.0 112.025 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' B' ' 37' ' ' SER . 40.4 t -109.01 146.63 14.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.56 127.89 55.86 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.653 HD13 ' HE3' ' A' ' 21' ' ' TRP . 21.0 pt -138.36 145.72 48.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 123.261 0.351 . . . . 0.0 110.588 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.762 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 27.7 Cg_exo -63.06 171.37 6.28 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.576 2.85 . . . . 0.0 114.569 -173.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.85 -44.11 94.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.105 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CD ' HH22 ' A' ' 24' ' ' ARG . 8.0 mm-40 -54.21 -29.52 46.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.49 0.662 . . . . 0.0 111.127 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.653 ' HE3' HD13 ' A' ' 17' ' ' ILE . 8.3 m0 -76.63 -56.81 4.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.615 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.939 ' CD2' HG22 ' B' ' 11' ' ' ILE . 40.2 t-80 -54.11 -36.15 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.71 -66.2 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.316 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -77.28 -38.74 50.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.3 -43.31 98.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.787 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.683 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 88.7 mmm -64.57 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.6 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.94 -41.75 90.9 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.862 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 24' ' ' ARG . 83.2 mt -61.96 -37.48 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.317 0.579 . . . . 0.0 109.663 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -64.16 -24.77 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.614 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 26' ' ' MET . 32.1 mmtp -75.24 -40.26 59.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.96 -39.22 94.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.367 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -95.43 -3.19 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.85 40.7 7.31 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.221 0.534 . . . . 0.0 111.047 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 94.1 mt -128.43 166.96 17.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.715 -177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.3 p -106.3 165.22 11.41 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -58.99 -36.32 74.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.818 0.342 . . . . 0.0 110.408 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.724 ' HA ' HG23 ' B' ' 15' ' ' VAL . 13.0 m -56.82 -42.05 78.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.541 174.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 25.2 m-20 -64.31 -52.08 60.28 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.774 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.15 -33.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.636 ' HA ' HD13 ' B' ' 44' ' ' ILE . 2.9 t -69.41 -56.58 7.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.233 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 3.5 ppt_? -62.97 -28.02 69.8 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.635 -0.665 . . . . 0.0 112.179 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 41' ' ' ARG . 67.9 mt -72.2 -23.36 61.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 109.854 173.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB3' HG12 ' B' ' 44' ' ' ILE . . . -69.94 -42.44 73.25 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.192 177.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.718 ' CG2' ' HA ' ' B' ' 40' ' ' CYS . 29.2 pt -70.29 -25.88 28.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.19 -46.56 88.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.409 0.624 . . . . 0.0 109.687 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.8 -32.46 69.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.933 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.646 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 73.7 t80 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.234 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 86.8 mt -65.71 -46.92 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -46.4 89.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.975 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -80.66 -27.83 37.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -174.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -89.09 -17.03 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.863 -174.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.13 89.97 3.2 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -84.13 -63.26 1.38 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.153 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.18 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -97.61 -4.04 38.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.741 -178.032 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -116.77 100.48 53.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.151 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.576 ' HD2' ' HA ' ' B' ' 8' ' ' LEU . 8.8 Cg_exo -71.62 -56.43 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.997 2.465 . . . . 0.0 112.068 -177.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -138.84 81.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.519 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 60.66 -91.45 0.03 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.638 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 tp -91.86 59.8 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.916 0.389 . . . . 0.0 110.732 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.576 ' HA ' ' HD2' ' B' ' 4' ' ' PRO . 82.0 mt 58.83 15.08 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.663 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.762 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 63.6 t30 59.73 45.2 13.17 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.618 0.723 . . . . 0.0 109.761 -175.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.29 118.38 0.82 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.238 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.939 HG22 ' CD2' ' A' ' 22' ' ' HIS . 35.0 mm -107.19 142.28 20.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.22 117.45 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.146 0.498 . . . . 0.0 110.212 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.89 140.51 50.74 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.665 -178.124 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.33 115.76 5.23 Favored Glycine 0 N--CA 1.44 -1.076 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.792 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.724 HG23 ' HA ' ' A' ' 37' ' ' SER . 20.5 t -105.03 156.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -136.65 123.82 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.704 0.288 . . . . 0.0 111.008 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.542 ' HB ' ' HD2' ' B' ' 18' ' ' PRO . 17.3 pt -147.86 160.92 36.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.46 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 9.2 Cg_endo -50.61 147.31 17.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.565 2.843 . . . . 0.0 112.767 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.08 -30.24 68.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.194 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.563 ' HB3' ' NH2' ' B' ' 24' ' ' ARG . 38.7 mt-10 -54.62 -35.31 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.565 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -80.39 -32.31 37.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.438 ' CE1' HD21 ' A' ' 13' ' ' LEU . 18.0 m-70 -63.37 -46.95 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.063 174.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.89 -55.28 36.89 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.833 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.563 ' NH2' ' HB3' ' B' ' 20' ' ' GLU . 0.3 OUTLIER -75.07 -35.92 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.778 -175.132 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.618 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 3.5 mm? -66.56 -47.5 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.653 ' O ' ' HG2' ' B' ' 30' ' ' LYS . 71.3 mmm -62.81 -34.19 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.73 -41.2 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.486 ' O ' ' HD3' ' B' ' 32' ' ' LYS . 72.1 mt -63.41 -37.29 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.913 0.864 . . . . 0.0 108.749 172.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.19 -21.48 66.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.326 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 26' ' ' MET . 35.3 mmtp -75.35 -37.66 60.54 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -61.01 -37.78 83.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.331 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' B' ' 28' ' ' ILE . 13.2 mptt -92.17 -4.28 54.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.861 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.52 39.95 6.46 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.363 0.601 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 93.9 mt -133.81 168.74 18.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.892 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.7 p -103.57 163.93 11.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.408 HD23 ' SD ' ' B' ' 26' ' ' MET . 2.5 pt? -59.56 -32.32 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.37 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.596 ' HA ' HG23 ' A' ' 15' ' ' VAL . 18.1 m -57.34 -44.94 84.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.774 174.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.689 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 64.1 m-20 -64.75 -44.96 88.42 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.883 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.59 -32.28 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.566 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.718 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.67 -61.65 2.17 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.497 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.689 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 4.1 ppt_? -61.69 -34.71 76.23 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 67.8 mt -66.62 -30.84 71.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.554 -0.716 . . . . 0.0 110.289 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -71.94 -27.37 62.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.142 175.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 40' ' ' CYS . 17.6 mt -68.1 -40.74 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.64 -33.46 72.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.218 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -72.63 -39.98 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.469 0.652 . . . . 0.0 109.432 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.28 -45.27 94.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.691 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.64 -49.29 66.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.01 -31.65 70.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.499 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.28 -27.59 53.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.764 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -90.13 -19.74 23.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.024 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -99.9 119.91 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.742 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -128.76 -70.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 64.51 99.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.198 0.523 . . . . 0.0 111.901 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.26 -22.83 22.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 tttp . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.615 -177.385 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -152.88 127.0 4.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.5 96.51 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.741 2.294 . . . . 0.0 111.714 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -82.2 -27.74 32.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.268 ' HA ' ' OE1' ' B' ' 19' ' ' GLN . 21.0 pttm -83.64 -9.15 59.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.946 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -95.99 -26.49 15.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 110.15 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -92.52 -32.88 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -82.21 147.41 29.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.06 166.35 35.09 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.403 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.0 mm -108.08 149.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -100.74 114.72 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.704 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.781 HD11 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -110.78 165.82 11.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 -178.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.822 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -134.85 122.67 2.93 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.198 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.694 ' HA ' ' HB3' ' B' ' 37' ' ' SER . 13.8 t -105.56 163.78 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' HG11 ' A' ' 15' ' ' VAL . 7.6 m-85 -128.92 123.76 33.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.2 pt -139.41 148.15 55.41 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.291 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 37.5 Cg_endo -66.45 162.99 34.13 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 123.305 2.67 . . . . 0.0 113.308 -177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -17.79 64.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.536 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.44 -38.24 63.35 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.838 170.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.635 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 12.7 m0 -80.25 -41.24 25.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.811 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 26' ' ' MET . 7.1 m-70 -60.51 -55.55 32.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.026 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . 32.2 t70 -60.98 -58.11 9.79 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.146 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.539 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 1.8 mpt_? -77.85 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 39.8 mt -66.59 -40.91 89.11 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.449 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 79.7 mtp -70.48 -27.0 63.87 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.176 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.88 -43.38 93.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.213 0.53 . . . . 0.0 109.638 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.21 -34.82 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.739 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.07 68.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.153 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.9 mttm -78.18 -36.67 47.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.16 -38.8 90.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.313 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.53 -3.88 54.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.935 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 63.37 43.43 6.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.356 0.598 . . . . 0.0 111.956 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.29 165.79 24.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -107.28 161.71 14.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.346 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 13' ' ' LEU . 2.2 pt? -55.95 -42.92 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.88 0.309 . . . . 0.0 111.428 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 1.015 ' HA ' HG21 ' B' ' 15' ' ' VAL . 12.0 m -58.01 -43.8 86.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.706 0.289 . . . . 0.0 110.994 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.0 m-20 -65.01 -48.14 74.98 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.24 -37.27 79.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 t -67.37 -42.78 82.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -61.17 -46.79 89.07 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.302 0.641 . . . . 0.0 111.182 173.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 69.1 mt -67.41 -24.24 65.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.29 0.567 . . . . 0.0 109.749 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.36 67.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.097 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.59 ' HB ' ' CZ2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -66.52 -41.14 88.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.665 -178.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -63.24 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.475 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.68 -33.45 72.57 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' HB2' ' HB2' ' B' ' 43' ' ' ALA . 78.2 t80 -64.22 -44.82 90.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.27 -47.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.983 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -37.08 78.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.455 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.73 -32.86 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -89.0 -4.83 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.965 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -97.54 -48.49 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -67.6 -47.77 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.955 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 65.37 114.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 1.594 ' HB2' ' CD ' ' B' ' 55' ' ' LYS . 24.1 pttm -84.95 -32.93 22.78 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 168.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.6 tttm . . . . . 0 C--O 1.251 1.183 0 CA-C-N 114.394 -1.275 . . . . 0.0 108.818 179.069 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.244 -0.343 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -170.96 105.21 0.4 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -84.33 106.21 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.443 2.096 . . . . 0.0 112.982 -172.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -81.05 -7.0 59.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -88.12 -31.35 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.58 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 tp -95.48 -23.86 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.231 0.539 . . . . 0.0 110.224 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.42 43.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 173.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -152.45 155.14 36.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.67 142.62 8.15 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 22' ' ' HIS . 12.5 mm -113.41 156.89 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.822 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 21.4 tptm -99.6 125.68 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 -177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.26 139.37 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.423 -177.069 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.708 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -103.56 118.98 6.2 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.522 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 1.015 HG21 ' HA ' ' A' ' 37' ' ' SER . 60.8 t -106.0 138.59 30.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.99 124.25 50.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -176.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.655 HG22 ' CG ' ' A' ' 41' ' ' ARG . 35.9 pt -141.8 153.33 64.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.347 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.577 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 75.0 Cg_exo -51.35 148.74 18.54 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.62 2.88 . . . . 0.0 113.493 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 1.268 ' OE1' ' HA ' ' A' ' 6' ' ' LYS . 20.3 pt20 -58.4 -45.07 89.07 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.632 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.58 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 54.4 mm-40 -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.433 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' HB ' ' A' ' 44' ' ' ILE . 7.8 t90 -82.87 -37.84 23.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -56.97 -45.72 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.254 172.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.29 -51.67 68.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.662 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.58 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.6 mpt_? -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.234 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' B' ' 25' ' ' LEU . 9.2 mt -62.85 -52.16 64.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.929 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' B' ' 29' ' ' ALA . 86.6 mtp -67.38 -25.32 65.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.45 -42.8 82.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.149 0.499 . . . . 0.0 109.768 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.78 -33.51 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 109.427 173.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.36 -20.54 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.314 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 26' ' ' MET . 51.0 mttm -76.92 -45.63 27.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -58.23 -41.41 84.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.347 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.25 -4.21 46.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 59.86 44.48 13.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.623 0.725 . . . . 0.0 110.725 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 94.1 mt -128.34 171.28 12.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.571 -175.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -101.62 152.55 20.67 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.781 ' HG ' HD11 ' A' ' 13' ' ' LEU . 2.6 pt? -59.88 -28.95 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.127 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.694 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 15.6 m -56.94 -45.39 82.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.546 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -64.77 -36.71 85.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.18 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.217 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.569 ' SG ' HD11 ' A' ' 44' ' ' ILE . 3.8 m -67.01 -49.17 66.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.043 0.449 . . . . 0.0 110.6 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.635 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -52.96 -47.63 67.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.298 0.639 . . . . 0.0 112.24 171.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.58 -28.31 68.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.401 0.62 . . . . 0.0 110.183 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . . . -73.5 -26.7 61.01 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.131 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.569 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 12.7 mt -69.47 -40.71 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.95 -40.64 81.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.478 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.24 -40.44 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.087 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.88 -45.47 94.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.73 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.4 mt -64.28 -40.55 96.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.715 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.58 -54.77 38.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.083 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.18 -18.77 55.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.909 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -87.01 -18.73 29.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.062 0.458 . . . . 0.0 110.674 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.18 -21.96 19.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.368 0.604 . . . . 0.0 109.461 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.25 -63.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.579 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 58.0 99.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.625 0.578 . . . . 0.0 111.166 -175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 1.594 ' CD ' ' HB2' ' A' ' 55' ' ' LYS . 25.1 pttm -81.76 9.59 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.867 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.985 -179.683 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.48 78.02 0.36 Allowed Pre-proline 0 N--CA 1.463 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 110.131 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.98 166.78 23.56 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.021 2.48 . . . . 0.0 112.0 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.18 -11.71 59.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.159 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -90.18 1.52 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.0 mt 58.98 -91.61 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 O-C-N 124.126 0.891 . . . . 0.0 109.863 -172.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -145.91 58.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.203 0.525 . . . . 0.0 109.91 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 5.1 m-20 68.96 20.22 7.92 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.341 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.87 153.99 24.54 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.972 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.839 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 25.2 mm -128.07 152.42 36.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -101.43 132.4 47.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 111.125 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -131.88 165.46 23.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.705 -177.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.03 142.36 13.88 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.224 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.9 t -128.69 165.68 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -173.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' N ' HG12 ' A' ' 15' ' ' VAL . 5.0 m-85 -132.43 135.92 46.4 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 171.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' ' 22' ' ' HIS . 4.2 pt -154.04 149.98 21.75 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.532 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 16.4 Cg_exo -66.89 -178.72 1.39 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.413 2.742 . . . . 0.0 114.694 -171.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -56.55 -60.89 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.884 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.54 -11.41 10.97 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.473 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 5.2 m95 -79.75 -56.53 4.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.689 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.5 m-70 -59.42 -36.37 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.105 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.06 -56.2 25.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.713 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.22 -35.66 58.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD23 HG11 ' A' ' 39' ' ' VAL . 29.9 mt -62.6 -51.87 65.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.802 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.672 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 63.3 mtm -67.31 -28.13 67.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.94 -48.51 71.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 109.922 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.85 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -62.82 -24.08 67.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.64 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 26' ' ' MET . 88.6 mttt -79.4 -41.03 28.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG3' ' HD2' ' A' ' 32' ' ' LYS . 14.4 tp10 -61.91 -56.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.731 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HD2' ' HG3' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -93.27 -2.17 55.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 t30 64.88 67.54 0.54 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.195 0.998 . . . . 0.0 110.618 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 67.2 mt -134.27 166.96 21.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.401 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.3 p -104.29 164.25 11.86 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -58.76 -36.41 74.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.793 ' HA ' HG21 ' B' ' 15' ' ' VAL . 8.0 m -59.14 -39.98 84.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.849 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 m-20 -61.77 -42.63 99.24 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.251 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG11 HD23 ' A' ' 25' ' ' LEU . 50.9 t -62.65 -39.14 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -176.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' B' ' 44' ' ' ILE . 14.7 m -68.31 -56.86 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.83 0.347 . . . . 0.0 111.286 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.664 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.6 OUTLIER -58.1 -35.63 71.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 175.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 89.0 mt -71.31 -23.66 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.845 -0.535 . . . . 0.0 110.197 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 40' ' ' CYS . . . -70.54 -46.82 62.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.717 HG23 ' HA ' ' B' ' 40' ' ' CYS . 2.9 pt -68.83 -25.24 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.486 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.76 -48.67 80.76 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.136 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.57 -25.18 60.25 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 109.697 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' B' ' 43' ' ' ALA . 69.3 t80 -62.78 -47.13 84.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.218 174.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 82.3 mt -67.71 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.449 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.34 -39.78 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.654 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -80.58 -39.65 27.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -94.35 -29.02 15.23 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.892 -173.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 t70 60.76 -76.23 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.841 0.856 . . . . 0.0 112.553 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -141.94 -66.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 55.09 68.83 0.81 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -173.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -54.68 116.29 2.62 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.902 -167.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.602 172.673 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' B' ' 4' ' ' PRO . 17.1 tpp180 68.06 108.24 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.273 0 C-N-CA 123.359 0.663 . . . . 0.0 111.414 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.484 ' HG2' ' O ' ' B' ' 7' ' ' LEU . 19.4 Cg_endo -60.67 162.93 16.85 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.675 2.25 . . . . 0.0 111.614 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -81.38 -21.09 39.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.445 0.64 . . . . 0.0 109.521 -174.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -92.64 38.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.523 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' B' ' 4' ' ' PRO . 90.0 mt 59.51 -88.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.622 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.3 mt -145.76 47.92 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 66.71 20.59 10.68 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.824 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.0 140.98 6.74 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.689 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 11.6 mm -122.04 148.33 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.974 0.387 . . . . 0.0 110.01 -173.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.25 126.82 46.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 110.974 -172.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.441 ' N ' HD21 ' B' ' 13' ' ' LEU . 1.1 pt? -133.62 167.24 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.627 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.89 125.19 2.32 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.865 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 37' ' ' SER . 41.3 t -107.58 145.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -113.83 120.9 42.34 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.768 HD13 ' HE3' ' B' ' 21' ' ' TRP . 30.7 pt -142.43 155.43 64.17 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.116 -175.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' ' 9' ' ' ASN . 65.1 Cg_exo -53.46 150.82 25.7 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.883 3.055 . . . . 0.0 113.587 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 2.9 pt20 -68.44 -30.1 68.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.779 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 25.1 mt-10 -55.67 -34.3 64.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.843 0.83 . . . . 0.0 110.08 174.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.768 ' HE3' HD13 ' B' ' 17' ' ' ILE . 28.0 m0 -75.52 -42.93 51.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.7 -1.137 . . . . 0.0 109.46 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.839 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 33.0 m-70 -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.68 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.84 -51.82 68.01 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 120.93 0.395 . . . . 0.0 111.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.16 -42.16 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.015 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 44' ' ' ILE . 83.4 mt -66.07 -40.13 90.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.135 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.615 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 63.9 mtm -63.02 -37.92 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.69 -42.49 91.17 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.342 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.47 -34.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.552 0.691 . . . . 0.0 109.748 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.03 -28.84 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.465 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' B' ' 26' ' ' MET . 85.3 mttt -78.8 -33.24 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.23 -46.0 89.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.051 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -95.61 -4.83 43.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 59.12 45.51 14.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.751 0.786 . . . . 0.0 110.063 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 93.5 mt -133.99 170.89 14.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.269 -175.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -103.04 161.7 13.55 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.918 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.564 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.3 pt? -59.97 -29.08 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.643 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.4 m -57.76 -45.19 86.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.96 171.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.541 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 52.6 m-20 -65.98 -49.74 66.76 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.97 -33.9 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.728 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.717 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.9 t -65.89 -55.24 18.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.397 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 7.0 ppt_? -67.37 -27.51 67.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.2 -33.14 73.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.338 0.59 . . . . 0.0 109.847 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . . . -73.43 -19.58 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.261 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.585 HD12 ' SG ' ' A' ' 40' ' ' CYS . 64.3 mt -67.56 -40.9 85.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -57.92 -39.48 78.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.746 174.537 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.58 -43.38 76.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.292 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.23 -38.99 85.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.041 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.3 mt -67.34 -51.32 53.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.825 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -62.84 -26.77 68.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.42 -36.15 68.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.419 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -96.52 -3.88 42.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.525 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.62 -88.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.053 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -147.61 -61.09 0.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 70.1 107.23 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.081 0.863 . . . . 0.0 111.508 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -94.13 110.34 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 tttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.721 -174.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.09 68.79 2.33 Favored Pre-proline 0 N--CA 1.463 0.21 0 C-N-CA 122.414 0.286 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HG2' HD11 ' A' ' 8' ' ' LEU . 41.5 Cg_exo -57.8 113.19 1.4 Allowed 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.513 2.142 . . . . 0.0 111.89 177.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 67.23 -75.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 124.058 0.849 . . . . 0.0 111.025 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -112.49 -85.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.009 0.433 . . . . 0.0 110.189 174.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 tp -144.83 80.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD11 ' HG2' ' A' ' 4' ' ' PRO . 4.0 mm? 61.47 30.73 18.96 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 -178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 6' ' ' LYS . 17.9 m120 -86.44 112.14 21.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.344 0.593 . . . . 0.0 111.296 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.56 116.57 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.445 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 17.2 mm -108.76 150.77 11.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.404 -169.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 53.1 tptt -100.06 116.92 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD12 HD11 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -119.98 139.78 51.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.266 -179.027 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.01 120.02 6.52 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.103 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' B' ' 37' ' ' SER . 35.4 t -104.91 157.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.03 118.59 25.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.491 HD11 ' HD2' ' A' ' 22' ' ' HIS . 28.2 pt -130.62 145.73 58.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 51.1 Cg_exo -56.09 153.38 32.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.61 2.873 . . . . 0.0 112.08 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.589 ' HG2' ' ND2' ' B' ' 9' ' ' ASN . 3.4 pt20 -74.57 -40.35 61.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' CD ' HD21 ' B' ' 9' ' ' ASN . 1.3 pm0 -63.32 -35.57 80.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.502 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 1.115 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 26.8 t90 -83.0 -27.05 30.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.959 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.497 ' O ' ' HG3' ' A' ' 26' ' ' MET . 53.6 t-80 -63.91 -51.34 64.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.7 172.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.61 -43.22 97.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.074 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -72.73 -36.54 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.321 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.69 -31.69 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.542 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 86.1 mtp -64.98 -40.14 94.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.339 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.377 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.39 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.322 0.582 . . . . 0.0 109.696 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 34' ' ' LEU . . . -64.62 -30.39 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.847 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.32 -37.0 60.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.403 0.62 . . . . 0.0 109.485 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -65.63 -42.72 91.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.322 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -2.6 47.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m120 66.2 53.19 1.07 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.582 0.706 . . . . 0.0 111.174 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 91.6 mt -134.37 167.67 20.31 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.276 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.0 p -103.95 165.61 10.93 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' B' ' 13' ' ' LEU . 2.1 pt? -56.24 -37.97 70.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 109.975 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.751 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.6 m -58.33 -44.1 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.722 174.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.3 m-20 -63.1 -50.0 72.22 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.89 -35.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.562 0.22 . . . . 0.0 111.117 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 3.6 t -68.28 -50.43 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.232 0.539 . . . . 0.0 110.198 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.991 ' HG3' HG23 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -55.53 -47.56 76.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 172.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.5 mt -68.02 -18.22 64.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.363 . . . . 0.0 110.28 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' B' ' 43' ' ' ALA . . . -70.43 -36.41 73.97 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.595 174.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.484 ' HB ' ' CZ3' ' B' ' 21' ' ' TRP . 20.6 mt -66.75 -40.61 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.19 -41.56 88.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.6 -33.8 71.45 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.669 0.747 . . . . 0.0 109.033 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.98 -48.63 78.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.625 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 77.1 mt -68.66 -46.51 68.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.011 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.85 -49.43 75.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.792 -173.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.76 -17.03 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.145 -173.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -91.15 -38.72 12.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 109.819 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -93.64 82.65 4.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.15 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -77.66 -56.94 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.784 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.64 -175.53 0.13 Allowed 'General case' 0 C--O 1.237 0.439 0 O-C-N 123.507 0.504 . . . . 0.0 110.742 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 62.67 43.74 7.2 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 168.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.935 174.767 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 CA-C-O 120.095 -0.28 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 59.9 91.09 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 111.75 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.455 ' HG2' HD12 ' B' ' 8' ' ' LEU . 15.1 Cg_exo -68.56 82.82 0.53 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.82 2.347 . . . . 0.0 111.085 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.485 ' CE2' ' HG3' ' A' ' 18' ' ' PRO . 85.3 m-85 67.76 -71.05 0.11 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.1 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -140.5 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.4 tp -144.94 66.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.765 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' B' ' 4' ' ' PRO . 4.1 mm? 59.3 58.71 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.038 -177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.589 ' ND2' ' HG2' ' A' ' 19' ' ' GLN . 2.9 m-20 -82.93 100.63 10.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.23 104.88 0.23 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.417 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mm -104.09 152.94 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -99.47 121.07 40.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.889 0.376 . . . . 0.0 110.589 -173.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.592 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -132.97 135.23 45.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.528 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.557 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -104.56 119.23 6.18 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.336 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' A' ' 37' ' ' SER . 42.0 t -103.92 152.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.445 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 4.2 m-85 -117.26 119.13 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.781 175.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.991 HG23 ' HG3' ' A' ' 41' ' ' ARG . 17.5 pt -135.23 147.7 63.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.535 ' HB2' ' HG2' ' B' ' 20' ' ' GLU . 17.9 Cg_endo -59.43 160.83 18.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.608 2.872 . . . . 0.0 113.145 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -30.32 70.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.028 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 18' ' ' PRO . 4.9 pt-20 -60.78 -26.11 67.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 111.028 175.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.709 ' HE3' HD13 ' B' ' 17' ' ' ILE . 8.2 m0 -78.78 -44.0 24.19 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' B' ' 26' ' ' MET . 14.5 m-70 -59.6 -36.54 76.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.785 0.326 . . . . 0.0 110.398 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.64 -60.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.48 -47.68 31.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.856 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.4 mm? -64.22 -52.64 57.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -175.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 87.0 mtp -66.69 -28.62 68.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.0 -40.88 87.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.232 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.49 -40.22 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.689 . . . . 0.0 109.633 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' B' ' 34' ' ' LEU . . . -64.34 -25.11 67.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.997 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.33 -40.23 51.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.404 0.621 . . . . 0.0 109.331 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.86 -44.41 93.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.973 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.05 -3.7 55.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.281 -173.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m120 64.39 48.18 2.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 29' ' ' ALA . 86.9 mt -124.05 166.19 16.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.876 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -104.47 157.74 16.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.404 HD11 HD12 ' A' ' 13' ' ' LEU . 2.4 pt? -59.88 -29.02 68.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.442 . . . . 0.0 109.914 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.627 ' HA ' HG23 ' A' ' 15' ' ' VAL . 16.6 m -58.74 -44.66 90.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.658 173.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 55.4 m-20 -63.62 -42.41 98.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.007 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.27 -39.65 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.0 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . 0.823 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -63.18 -57.98 8.71 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.945 0.402 . . . . 0.0 110.146 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 1.115 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.549 0.74 . . . . 0.0 112.169 173.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.4 mt -64.89 -28.52 69.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 0.0 110.571 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -73.73 -23.9 59.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.125 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.722 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 22.5 mt -70.53 -34.02 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.8 -41.78 91.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.975 173.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.42 -34.93 78.25 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.97 -41.97 93.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.655 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.71 -58.62 3.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.64 -29.84 68.31 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.56 -32.82 36.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.804 0.335 . . . . 0.0 111.234 -176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.76 -10.87 35.43 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.225 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -139.61 96.32 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 109.747 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -46.8 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.422 -172.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 59.54 -161.76 0.26 Allowed 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.599 0.562 . . . . 0.0 111.249 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 73.31 66.27 0.1 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.036 -0.983 . . . . 0.0 112.051 169.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.141 173.048 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.62 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.3 mm . . . . . 0 C--O 1.237 0.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' B' ' 16' ' ' TYR . 20.5 tptm -99.45 132.44 44.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 111.917 -168.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -130.3 135.26 47.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.519 175.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 109.22 3.44 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.707 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 12.7 t -104.08 146.68 11.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.655 0.264 . . . . 0.0 110.397 -174.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 6.4 m-85 -127.55 120.0 27.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.219 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HE3' ' A' ' 21' ' ' TRP . 26.3 pt -129.12 161.23 59.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.587 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.36 156.29 22.0 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.779 2.319 . . . . 0.0 112.886 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 8.4 mm-40 -60.22 -19.76 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.704 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -81.6 -51.63 8.03 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -58.2 -37.09 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.738 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.42 -56.52 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.235 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 67.8 mmt-85 -74.19 -34.29 63.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 110.489 -173.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.59 -46.82 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.9 mmm -65.86 -28.66 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.75 -52.27 57.89 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.334 0.588 . . . . 0.0 109.576 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.75 -32.88 57.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -27.55 69.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.552 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 26' ' ' MET . 34.3 mmtp -75.95 -37.1 58.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.69 -33.85 76.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.823 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.2 -4.39 42.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 62.23 38.89 13.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.148 0.975 . . . . 0.0 110.297 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.609 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 97.1 mt -130.77 169.87 15.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.598 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -104.85 161.66 13.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.4 pt? -58.89 -31.32 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.052 0.387 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.587 ' HA ' HG22 ' B' ' 15' ' ' VAL . 19.0 m -56.81 -41.39 77.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.618 176.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 m-20 -66.44 -42.43 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.778 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.4 -36.11 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.933 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 1.6 t -65.78 -51.94 55.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 3.8 tmt_? -48.98 -46.37 43.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.589 169.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 95.6 mt -66.52 -25.9 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.408 . . . . 0.0 111.067 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' B' ' 43' ' ' ALA . . . -70.25 -49.07 53.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.09 -177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.8 pt -69.03 -28.53 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.813 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HD3' ' HZ2' ' B' ' 21' ' ' TRP . 26.2 tptp -59.31 -49.59 77.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.235 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.79 -25.74 59.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 71.0 t80 -61.78 -44.19 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.753 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 92.3 mt -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.58 -27.61 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.11 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 35.4 mm -110.98 151.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 20.0 tptm -99.59 122.62 42.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.413 0.625 . . . . 0.0 110.952 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.707 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -131.03 132.12 44.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.155 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -103.7 120.83 6.85 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.54 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.1 t -104.76 151.54 7.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 11.4 m-85 -128.05 113.47 15.84 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.774 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.2 pt -133.61 155.41 80.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.35 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.8 158.1 34.82 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 123.679 2.919 . . . . 0.0 113.682 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HA ' ' HB2' ' B' ' 22' ' ' HIS . 1.2 pp0? -70.34 -22.02 62.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.117 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 5.5 mm-40 -50.44 -44.12 55.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.53 0.681 . . . . 0.0 110.165 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.774 ' HE3' HD12 ' B' ' 17' ' ' ILE . 42.1 m0 -77.6 -33.74 53.67 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.38 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.62 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 21.6 m-70 -60.65 -38.43 84.83 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.536 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' B' ' 24' ' ' ARG . 10.2 t70 -60.48 -61.18 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.473 . . . . 0.0 110.835 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 13.9 mmt180 -72.46 -51.48 19.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -170.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.2 mm? -65.57 -44.84 85.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.375 -173.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 91.5 mmm -67.06 -30.46 70.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.028 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.28 -39.7 89.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.599 0.714 . . . . 0.0 109.704 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.14 -35.46 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.665 0.745 . . . . 0.0 109.063 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.92 -16.65 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.662 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 26' ' ' MET . 28.2 mmtp -78.29 -50.74 11.28 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 174.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.8 -37.95 80.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -91.67 -14.58 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.704 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.27 54.2 3.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.845 0.831 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.682 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.2 mt -135.22 168.92 18.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.632 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -103.99 156.22 18.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 17' ' ' ILE . 2.7 pt? -60.31 -29.19 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 15' ' ' VAL . 9.4 m -57.31 -42.16 81.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.271 174.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 38.5 m-20 -64.96 -47.06 78.96 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.708 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.54 -38.58 82.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.364 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.612 ' HA ' HG23 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.88 -51.73 63.2 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.417 0.627 . . . . 0.0 109.513 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.639 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.32 -49.35 67.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.919 0.888 . . . . 0.0 111.971 171.754 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 97.2 mt -64.28 -32.01 73.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.204 0.526 . . . . 0.0 110.429 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.443 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -73.37 -23.25 60.16 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.535 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 40.5 mt -68.54 -44.16 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -60.02 -33.71 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.169 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.55 -44.28 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.258 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.453 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 64.7 t80 -60.85 -40.23 92.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.272 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 88.5 mt -65.87 -50.47 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.78 -34.3 76.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -173.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -77.6 -24.69 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.146 -0.346 . . . . 0.0 111.763 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 66.3 m-70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.522 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 12.0 mm . . . . . 0 C--O 1.234 0.258 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -99.99 130.57 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 111.512 -174.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.479 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.7 122.65 7.58 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.499 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.79 HG22 ' HB3' ' B' ' 37' ' ' SER . 6.4 t -112.26 163.68 8.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.63 128.16 30.62 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.944 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 10' ' ' GLY . 4.8 pt -150.81 153.64 33.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.942 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 40.7 Cg_exo -58.35 162.02 12.94 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.594 2.863 . . . . 0.0 113.567 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.464 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.86 -19.7 62.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 8.4 m95 -79.19 -48.36 14.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 1.064 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -61.21 -33.97 74.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.73 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.09 -53.83 53.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.373 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -73.36 -30.71 63.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.839 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB2' ' A' ' 36' ' ' LEU . 70.9 mt -63.81 -51.18 65.92 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.17 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.77 -56.72 14.95 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.293 0.568 . . . . 0.0 109.994 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 72.4 mt -63.2 -42.91 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.68 -22.11 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.434 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 34.1 ttpt -78.3 -51.4 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.218 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.95 -38.98 93.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 4.3 mptp? -93.16 -4.34 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -171.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 62.73 61.16 1.21 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 122.014 0.911 . . . . 0.0 110.043 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.3 mt -135.54 166.82 22.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.701 HG22 HD23 ' A' ' 36' ' ' LEU . 1.3 m -109.78 158.47 18.11 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.97 -36.62 75.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.135 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.973 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.4 p -58.55 -43.11 89.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.639 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.5 m-20 -64.68 -45.47 86.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.85 -32.03 55.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.68 0.276 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 2.6 t -69.06 -56.13 8.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.804 0.335 . . . . 0.0 110.639 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.652 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.6 ppt_? -59.04 -35.58 73.56 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.987 -0.445 . . . . 0.0 112.165 173.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.1 mt -68.06 -23.28 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.661 -0.649 . . . . 0.0 109.545 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.53 -31.55 65.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.548 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.818 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 29.0 mm -64.61 -49.2 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.6 -36.17 73.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.553 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' CD2' ' B' ' 47' ' ' TYR . 5.7 tp10 -71.53 -39.05 70.98 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.631 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 63.0 t80 -62.93 -47.47 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.289 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.6 mt -66.28 -50.87 62.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.0 -40.18 90.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.434 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.285 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . . . . . . 0 N--CA 1.441 -0.999 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 1.064 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 26.5 mm -104.76 149.96 7.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.13 128.86 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 0.0 110.276 -173.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -132.07 165.76 23.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.687 -177.585 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -140.31 122.11 2.11 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.243 -0.979 . . . . 0.0 111.987 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.973 HG22 ' HA ' ' A' ' 37' ' ' SER . 40.4 t -104.74 144.88 13.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.13 119.04 37.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.627 HD12 ' HE3' ' B' ' 21' ' ' TRP . 39.1 pt -142.11 154.67 64.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.43 170.2 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 124.105 3.203 . . . . 0.0 114.103 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -80.72 -36.51 32.02 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.715 -175.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 3.9 pm0 -61.27 -21.74 64.2 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.435 0.635 . . . . 0.0 110.026 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.818 ' CH2' ' HB ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -79.6 -47.16 15.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.987 177.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.489 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.2 m80 -57.98 -37.99 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.96 -55.51 33.97 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.29 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 12.3 mpt_? -74.96 -35.92 62.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.523 HD23 HD12 ' B' ' 28' ' ' ILE . 59.1 mt -67.95 -34.39 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.5 mtt -66.71 -33.32 75.39 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.041 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.61 -40.82 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.523 HD12 HD23 ' B' ' 25' ' ' LEU . 82.4 mt -65.91 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.59 174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.023 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -84.1 -58.25 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.805 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.479 ' HB3' ' HD2' ' B' ' 32' ' ' LYS . 27.9 tt0 -62.3 -42.49 99.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.893 -173.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' HB3' ' B' ' 31' ' ' GLU . 2.5 mptp? -95.5 -8.33 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.153 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 61.27 53.71 3.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.725 0.774 . . . . 0.0 110.592 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -128.82 169.33 14.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.706 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -104.58 153.81 20.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -58.6 -33.54 70.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.004 0.431 . . . . 0.0 110.605 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.79 ' HB3' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -57.59 -40.6 79.41 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.927 173.799 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 48.9 m-20 -65.07 -50.29 66.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.66 -38.15 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.636 ' SG ' HG12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -65.33 -60.43 2.99 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.762 0.315 . . . . 0.0 110.531 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.591 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 2.5 ppt_? -63.31 -33.61 75.89 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 41' ' ' ARG . 80.5 mt -68.05 -31.43 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.357 0.599 . . . . 0.0 109.696 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.3 -24.18 62.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.278 176.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 57.7 mt -66.96 -42.99 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -55.8 -48.7 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -71.81 -27.58 63.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.077 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.616 ' CD2' ' HG2' ' A' ' 46' ' ' GLU . 62.9 t80 -62.03 -45.91 91.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.422 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 38.8 mt -69.6 -51.14 37.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.747 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -59.54 -38.43 81.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.403 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -80.99 -19.28 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' HIS . . . . . 0.588 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 49.4 m170 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.313 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.234 0.274 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB2' ' HE1' ' B' ' 16' ' ' TYR . 5.0 tppp? -100.32 130.02 46.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.322 0.582 . . . . 0.0 110.83 -171.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD13 ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.526 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.3 104.81 2.68 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.698 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' B' ' 37' ' ' SER . 13.1 t -104.23 158.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -132.57 133.71 44.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.297 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.7 pt -136.21 150.4 70.85 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.96 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 71.8 Cg_exo -51.73 147.44 24.46 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.453 2.769 . . . . 0.0 113.013 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' HG2' HD11 ' B' ' 11' ' ' ILE . 0.5 OUTLIER -57.75 -56.23 24.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.96 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 13.5 mm-40 -58.43 -27.84 64.71 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.96 ' HE3' ' HD2' ' A' ' 18' ' ' PRO . 21.1 t90 -82.42 -37.2 25.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.54 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.5 t60 -62.11 -40.07 94.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.801 172.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 27.1 t70 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.899 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 11.3 mpt_? -75.73 -27.91 58.34 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.754 0.312 . . . . 0.0 110.267 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.71 -36.33 83.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.268 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 61.1 mtm -64.56 -42.21 95.81 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.304 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.02 -46.12 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.01 -35.72 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.254 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.95 -38.19 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.396 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.45 -30.83 53.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 110.47 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.98 -41.38 97.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -95.72 -4.46 44.1 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 62.81 44.76 6.12 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.56 0.695 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.2 mt -130.83 168.95 16.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.238 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.6 p -103.26 159.25 15.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.643 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.4 pt? -59.12 -32.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.108 0.48 . . . . 0.0 110.119 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.85 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.3 m -57.48 -41.16 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.692 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.3 m-20 -64.75 -45.74 85.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.52 -31.73 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.992 ' HG ' ' CB ' ' B' ' 40' ' ' CYS . 4.9 t -68.38 -57.19 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.887 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.1 -29.95 70.06 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.021 -0.425 . . . . 0.0 112.114 174.054 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 70.5 mt -72.54 -22.23 61.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 110.495 174.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -71.02 -44.77 65.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.208 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.658 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 2.6 pt -69.64 -26.2 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.347 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.21 -40.88 95.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 5.7 tp10 -69.62 -37.69 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.681 0.753 . . . . 0.0 108.991 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -62.6 -49.95 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.549 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.7 mt -68.3 -59.39 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.06 -12.82 21.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.379 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.7 t-20 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 122.272 -0.268 . . . . 0.0 110.511 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.693 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.49 HD11 ' HG2' ' A' ' 19' ' ' GLN . 22.1 mm -106.62 156.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.71 127.96 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 110.268 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.85 ' HB3' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -134.12 128.55 34.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.836 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.31 120.38 6.73 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.753 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.85 HG22 ' HA ' ' A' ' 37' ' ' SER . 46.4 t -103.4 155.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.435 ' HE1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -133.2 113.17 12.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.559 0.219 . . . . 0.0 110.563 -174.122 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' B' ' 18' ' ' PRO . 7.3 pt -141.94 145.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.519 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' B' ' 21' ' ' TRP . 4.6 Cg_exo -77.0 -175.14 2.49 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.807 3.005 . . . . 0.0 115.107 -169.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.646 ' HG2' ' N ' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -51.13 -55.72 16.36 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.466 -178.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.646 ' N ' ' HG2' ' B' ' 19' ' ' GLN . 6.2 mm-40 -48.27 -36.1 13.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.224 0.61 . . . . 0.0 111.897 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.498 ' CD1' ' HD2' ' B' ' 18' ' ' PRO . 16.4 m95 -74.98 -54.87 6.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.421 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' B' ' 26' ' ' MET . 15.3 m-70 -58.67 -39.95 82.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.132 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.84 -55.2 38.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 111.178 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 10.1 mpt_? -73.45 -37.18 65.92 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.453 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 68.8 mt -64.51 -45.39 87.44 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.736 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 57.8 mtm -63.13 -33.9 76.45 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.92 -48.44 80.41 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.025 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.35 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 0.0 109.672 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.94 -25.74 68.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.86 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.736 ' HG3' ' O ' ' B' ' 26' ' ' MET . 81.7 mttt -79.29 -45.73 19.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.4 -36.87 83.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.086 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.14 -4.16 46.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.35 39.66 18.47 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.152 0.501 . . . . 0.0 111.97 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.612 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -120.1 167.12 12.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.114 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 79.7 p -106.95 150.28 26.62 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 166.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.674 ' CD1' HD13 ' A' ' 13' ' ' LEU . 3.5 pp -63.95 -23.25 67.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 -175.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.757 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.5 m -59.26 -47.36 85.64 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 109.84 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -63.9 -46.75 83.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.694 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.35 -34.06 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.992 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -64.13 -61.72 2.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.409 -179.217 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.741 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.74 -33.51 73.03 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 64.4 mt -67.27 -33.26 74.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.046 0.451 . . . . 0.0 110.111 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.45 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -74.79 -21.16 59.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.091 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.926 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 49.3 mt -68.72 -39.93 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -56.72 -46.7 81.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.021 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' ASP . 0.4 OUTLIER -70.88 -30.5 66.88 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 178.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -61.55 -44.39 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.282 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.7 mt -68.87 -44.12 73.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.853 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' B' ' 46' ' ' GLU . 38.2 t70 -61.3 -29.77 70.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.382 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.48 -35.88 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.821 0.344 . . . . 0.0 110.892 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.9 m170 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.38 -171.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.672 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.9 mm . . . . . 0 C--O 1.239 0.504 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.12 139.01 37.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 -172.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.9 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -127.86 154.25 45.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.294 0.568 . . . . 0.0 112.095 -172.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 118.79 6.01 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.134 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.554 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 16.4 t -112.24 161.73 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' ILE . 30.2 m-85 -135.94 144.98 45.74 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 21' ' ' TRP . 1.8 pt -155.94 149.79 19.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.388 170.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 89.1 Cg_exo -49.51 165.98 0.23 Allowed 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 124.021 3.147 . . . . 0.0 114.951 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.92 -42.82 80.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.752 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 37.0 mt-10 -57.06 -26.35 60.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.267 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 17' ' ' ILE . 20.2 m95 -79.95 -45.03 19.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.202 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 14.2 m-70 -65.61 -43.22 90.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.4 -49.19 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.115 0.483 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 6.6 mpt_? -74.52 -41.61 60.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 17.1 mt -65.7 -33.11 75.12 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.184 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.604 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 2.8 mmt -62.68 -45.72 91.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.664 0.269 . . . . 0.0 110.78 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.71 -45.19 75.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.604 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 89.8 mt -63.3 -39.42 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.947 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.44 -25.99 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -74.85 -39.61 61.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.525 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.67 -39.88 95.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.227 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 3.6 mptp? -95.06 -5.47 44.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.73 51.13 4.02 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.893 0.854 . . . . 0.0 110.193 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.4 mt -135.46 168.47 19.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.185 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.6 p -104.1 161.97 13.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD12 HD13 ' B' ' 13' ' ' LEU . 2.1 pt? -58.7 -36.39 74.15 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.548 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.949 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.7 m -57.75 -43.97 85.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 174.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 53.7 m-20 -64.73 -48.59 74.05 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.33 -35.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.667 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 1.1 t -69.84 -52.31 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.4 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.686 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 0.2 OUTLIER -59.13 -39.03 81.07 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.992 -0.442 . . . . 0.0 111.497 174.122 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.0 mt -66.67 -29.52 69.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.51 0.671 . . . . 0.0 109.699 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.34 63.76 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.424 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.716 HG21 HD11 ' B' ' 25' ' ' LEU . 36.4 mt -68.55 -39.79 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -59.55 -39.71 84.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.86 -37.58 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.728 0.775 . . . . 0.0 109.254 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.71 -45.29 93.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.447 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 HD21 ' B' ' 25' ' ' LEU . 88.8 mt -65.26 -50.64 64.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.639 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -32.83 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.383 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.611 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mm -109.63 157.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -166.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -99.33 131.16 45.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.206 0.527 . . . . 0.0 110.247 -169.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -130.32 138.36 50.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.062 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.58 112.07 4.09 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.936 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 37' ' ' SER . 47.9 t -104.24 142.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.96 124.16 50.96 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.701 HD12 ' HE3' ' B' ' 21' ' ' TRP . 15.1 pt -140.22 151.43 64.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.889 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.9 Cg_exo -61.96 159.73 32.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.729 2.953 . . . . 0.0 112.919 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -73.14 -20.09 60.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.05 -33.57 69.15 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 109.508 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.701 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -80.29 -41.65 24.55 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.798 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.672 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 26.5 m80 -57.09 -42.71 81.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.623 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.58 -62.87 1.55 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.508 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -72.49 -50.18 27.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' ILE . 91.1 mt -66.72 -43.21 84.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.647 -174.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 88.5 mtp -68.53 -23.91 64.58 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.436 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.44 -40.89 93.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 170.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' OE2' ' B' ' 31' ' ' GLU . 70.8 mt -65.55 -38.85 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 176.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.9 -25.8 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.579 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -78.31 -34.8 48.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.121 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 28' ' ' ILE . 40.7 mt-10 -64.96 -48.0 75.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.399 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 3.3 mptp? -94.92 -3.42 48.68 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 65.6 57.93 0.84 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.143 0.973 . . . . 0.0 110.028 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -133.77 168.56 18.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.416 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -103.43 160.86 14.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -60.02 -31.63 70.13 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.031 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.7 m -56.89 -40.86 77.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.284 174.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 34.7 m-20 -64.14 -40.19 95.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.266 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.2 -39.61 84.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.033 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.492 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 1.7 t -67.21 -58.35 5.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.742 0.306 . . . . 0.0 110.483 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -31.03 67.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 68.4 mt -72.07 -24.37 61.5 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.72 63.45 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.437 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 1.8 pt -70.37 -32.97 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.16 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -59.54 -41.32 89.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.188 0.518 . . . . 0.0 109.695 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.69 -38.68 77.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -62.61 -41.83 99.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.291 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.5 mt -63.98 -54.06 40.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.444 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -41.09 78.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.81 -26.49 44.3 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 111.662 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 0.0 111.074 178.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.654 HD11 ' OE1' ' B' ' 19' ' ' GLN . 4.3 mp . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -100.16 126.61 46.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.239 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.818 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -125.67 166.6 16.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.682 -175.513 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.15 147.22 19.11 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.737 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' B' ' 37' ' ' SER . 11.6 t -133.15 164.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -175.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.9 m-85 -131.36 135.16 46.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.27 0.228 . . . . 0.0 110.668 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD21 ' B' ' 13' ' ' LEU . 4.5 pt -151.44 151.01 28.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.031 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 24.3 Cg_endo -64.42 172.82 6.03 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 123.237 2.625 . . . . 0.0 114.186 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.82 -36.38 76.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.215 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.8 mm-40 -55.19 -33.28 62.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 111.394 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.502 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.8 m95 -78.72 -50.76 10.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 38.9 m-70 -59.74 -36.64 77.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.229 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.49 -59.02 5.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.406 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.1 mpt_? -75.58 -42.97 50.69 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.658 -173.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.96 -50.97 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.002 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.724 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 88.7 mmm -66.94 -24.94 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.973 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.1 -46.73 82.94 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.535 0.683 . . . . 0.0 109.441 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -62.73 -37.3 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.79 -22.73 67.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.669 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 26' ' ' MET . 89.8 mttt -76.38 -45.53 31.41 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.23 -43.2 96.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.988 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -3.86 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -174.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 63.34 57.99 1.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.297 0.57 . . . . 0.0 111.292 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.4 mt -133.28 166.52 22.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.266 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 p -108.09 157.79 17.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 170.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -60.71 -23.92 65.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.234 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.021 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.8 m -59.93 -48.73 80.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.164 170.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.3 m-20 -64.43 -46.09 84.72 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.046 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.74 -31.79 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 3.0 t -69.46 -49.5 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.909 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -65.7 -31.61 72.71 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.276 -0.265 . . . . 0.0 111.301 173.466 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 94.2 mt -68.88 -25.52 64.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 109.666 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.83 -49.77 42.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.645 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.759 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 1.3 pt -68.29 -22.05 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.559 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 42' ' ' LEU . 85.6 tttt -58.0 -55.83 29.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.37 173.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.82 -24.25 58.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.25 0.548 . . . . 0.0 109.543 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 80.1 t80 -61.33 -43.0 99.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.207 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.7 mt -66.71 -54.04 27.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.623 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.09 -21.0 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.664 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.404 -0.185 . . . . 0.0 111.149 -175.432 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.443 -0.892 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.653 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 mp -119.0 148.04 22.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -172.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -99.61 123.6 44.03 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 110.596 -170.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.693 HD21 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -123.21 165.27 17.18 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.448 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.488 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -142.74 120.48 1.57 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.121 -1.037 . . . . 0.0 112.472 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 1.021 HG22 ' HA ' ' A' ' 37' ' ' SER . 39.3 t -105.12 155.96 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.39 122.8 26.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 13' ' ' LEU . 37.3 pt -142.11 152.12 60.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.721 0.296 . . . . 0.0 111.193 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.796 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 28.7 Cg_endo -62.96 163.46 22.29 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.848 3.032 . . . . 0.0 114.474 -174.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.654 ' OE1' HD11 ' A' ' 11' ' ' ILE . 40.9 tp60 -62.94 -42.84 99.94 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.283 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 6.6 mm-40 -50.86 -40.92 57.41 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.917 0.865 . . . . 0.0 110.766 177.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.796 ' HE3' ' HD2' ' B' ' 18' ' ' PRO . 3.7 t90 -80.19 -30.55 38.77 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.257 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 2.6 m-70 -66.59 -49.52 66.08 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.374 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.33 -48.54 68.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.739 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 9.9 mpt_? -74.01 -47.29 38.08 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.394 -176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.655 HD12 HG11 ' B' ' 39' ' ' VAL . 4.5 mm? -66.99 -40.18 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.478 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.569 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 94.8 mmm -65.41 -28.98 69.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.2 -45.8 91.74 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.684 0.754 . . . . 0.0 109.071 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.76 -37.14 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.906 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.44 -24.78 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.541 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' B' ' 26' ' ' MET . 89.1 mttt -76.83 -56.93 4.16 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.467 ' C ' ' HE2' ' B' ' 32' ' ' LYS . 6.2 mm-40 -61.62 -31.67 71.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.793 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.467 ' HE2' ' C ' ' B' ' 31' ' ' GLU . 1.0 OUTLIER -95.39 -4.73 44.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.36 37.97 19.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.107 0.479 . . . . 0.0 111.433 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.401 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -111.03 166.47 11.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.08 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 39' ' ' VAL . 40.0 p -104.89 158.09 16.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.818 HD12 HD13 ' A' ' 13' ' ' LEU . 2.2 pt? -56.58 -37.89 71.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.991 0.424 . . . . 0.0 110.054 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.51 ' HA ' HG22 ' A' ' 15' ' ' VAL . 7.3 m -55.2 -47.52 75.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.85 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.434 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 40.5 m-20 -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.339 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG11 HD12 ' B' ' 25' ' ' LEU . 61.8 t -61.68 -43.23 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.358 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.581 ' HA ' HG23 ' A' ' 44' ' ' ILE . 14.1 m -66.54 -54.57 22.24 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.091 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 6.4 ppt_? -62.13 -34.4 76.27 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.36 -31.9 72.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.509 0.671 . . . . 0.0 109.634 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.19 -20.96 60.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.707 176.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 59.4 mt -66.05 -45.3 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 87.6 tttt -59.67 -36.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.329 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -68.42 -41.15 80.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.391 0.615 . . . . 0.0 109.656 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -63.81 -42.59 97.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.998 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.8 mt -66.91 -44.47 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.471 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' B' ' 45' ' ' LYS . 9.9 t70 -55.97 -43.31 77.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.962 -173.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -76.96 -28.73 55.28 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' B' ' 48' ' ' LEU . 4.2 p80 . . . . . 0 C--N 1.33 -0.257 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.829 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp . . . . . 0 C--O 1.236 0.345 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.77 ' HD3' ' CE1' ' B' ' 16' ' ' TYR . 26.9 tptp -98.63 123.61 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -171.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -131.22 165.46 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.027 178.188 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 119.48 2.05 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' B' ' 37' ' ' SER . 46.3 t -103.16 155.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.062 ' CD1' ' HD3' ' B' ' 12' ' ' LYS . 4.2 t80 -128.89 120.21 25.78 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.794 HG12 HD21 ' B' ' 13' ' ' LEU . 24.6 pt -138.63 153.48 72.38 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.628 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.892 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 32.3 Cg_exo -59.71 167.97 6.1 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.553 2.835 . . . . 0.0 114.466 -174.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 1.007 ' HA ' ' CD1' ' B' ' 11' ' ' ILE . 5.2 tp60 -68.92 -40.74 78.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.545 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.5 mp0 -53.06 -37.23 61.45 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.806 0.812 . . . . 0.0 109.823 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.807 ' CZ3' ' HG2' ' B' ' 41' ' ' ARG . 10.1 m0 -73.22 -58.48 3.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.187 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.857 ' CB ' HD13 ' B' ' 11' ' ' ILE . 8.7 t60 -51.9 -43.12 63.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.065 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.83 -55.46 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.67 -31.72 65.28 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 111.078 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 21' ' ' TRP . 4.0 mm? -66.77 -41.75 87.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 92.9 mmm -64.53 -30.19 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.18 -46.14 82.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.219 0.533 . . . . 0.0 109.854 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.69 -35.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.006 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.76 79.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.394 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' MET . 45.2 mttp -79.42 -43.27 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.061 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.74 -42.64 97.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.518 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -94.5 -3.81 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 62.65 51.63 3.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.761 0.791 . . . . 0.0 110.4 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.16 168.93 18.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.568 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.57 151.16 22.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.941 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -58.05 -28.13 64.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.668 0.27 . . . . 0.0 110.905 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.837 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.1 p -59.39 -47.42 85.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.084 0.468 . . . . 0.0 110.64 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.595 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 45.7 m-20 -63.75 -41.74 97.96 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.647 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.8 -37.49 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 3.5 t -67.75 -48.49 66.25 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 109.968 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.839 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 2.3 tmt_? -49.56 -50.62 41.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.581 0.752 . . . . 0.0 111.13 169.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.9 mt -67.31 -24.63 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.973 0.416 . . . . 0.0 110.732 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -69.3 -36.64 77.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.515 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.017 ' HB ' ' HZ2' ' B' ' 21' ' ' TRP . 19.7 mt -69.91 -34.9 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -46.69 84.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.335 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.59 -25.99 59.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.398 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.658 HD21 HD21 ' B' ' 25' ' ' LEU . 80.8 mt -68.83 -46.56 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.204 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.42 -29.8 70.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.045 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 46' ' ' GLU . 4.2 t-20 . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.109 0.481 . . . . 0.0 110.712 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.892 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 1.007 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 4.4 mp -129.05 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 1.062 ' HD3' ' CD1' ' A' ' 16' ' ' TYR . 17.2 tptp -100.92 134.7 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.941 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.36 140.06 47.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -176.363 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -102.95 116.1 5.37 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.058 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 37' ' ' SER . 23.2 t -107.78 162.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.77 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 3.2 m-85 -131.87 130.02 41.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.777 0.322 . . . . 0.0 110.754 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.529 HG12 HD22 ' A' ' 13' ' ' LEU . 39.5 pt -139.74 140.44 24.78 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -176.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.892 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 43.8 Cg_exo -59.53 161.07 18.4 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 123.869 3.046 . . . . 0.0 113.413 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' B' ' 22' ' ' HIS . 0.4 OUTLIER -80.43 -33.24 37.04 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.94 -172.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 1.3 mp0 -59.21 -35.24 73.26 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 122.618 1.199 . . . . 0.0 109.35 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 1.017 ' HZ2' ' HB ' ' A' ' 44' ' ' ILE . 10.8 t90 -79.26 -25.57 42.53 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.516 -1.674 . . . . 0.0 108.397 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' B' ' 26' ' ' MET . 10.2 m80 -65.06 -44.46 88.9 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.312 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' B' ' 20' ' ' GLU . 16.7 m-20 -50.82 -57.8 7.52 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.068 0.461 . . . . 0.0 110.285 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' B' ' 24' ' ' ARG . 7.2 mpt_? -73.62 -52.3 13.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.687 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.74 HD12 HG11 ' B' ' 39' ' ' VAL . 3.5 mm? -67.92 -44.18 77.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.705 ' SD ' ' HB3' ' B' ' 36' ' ' LEU . 80.6 mmm -67.67 -25.59 65.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.887 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -65.7 -40.41 92.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.567 171.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.11 -37.85 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.645 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.92 -27.77 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.501 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 26' ' ' MET . 61.2 mttp -78.43 -44.19 25.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.126 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.36 -39.75 95.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.24 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -95.93 -3.17 45.72 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.6 49.11 2.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.361 0.6 . . . . 0.0 111.272 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.458 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 77.9 mt -124.53 166.1 16.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.221 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 39' ' ' VAL . 81.9 p -110.59 162.85 14.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 172.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.4 pt? -55.77 -38.15 69.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.916 0.388 . . . . 0.0 110.493 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.857 ' HA ' HG22 ' A' ' 15' ' ' VAL . 4.8 m -56.94 -47.32 80.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.472 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 68.8 m-20 -64.67 -43.59 93.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.609 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.74 HG11 HD12 ' B' ' 25' ' ' LEU . 69.7 t -63.61 -38.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.552 -176.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.05 -53.61 47.1 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.807 ' HG2' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -49.09 -50.23 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.281 171.142 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.0 mt -64.61 -27.93 69.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.315 0.578 . . . . 0.0 110.578 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.543 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -71.31 -32.99 69.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.104 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 28.2 mt -66.52 -38.55 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -56.52 -48.03 78.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' A' ' 50' ' ' ASN . 32.7 tt0 -72.98 -33.75 66.03 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.91 -43.32 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.048 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 76.0 mt -64.78 -41.42 95.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.982 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.0 -37.14 83.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.226 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.32 -31.71 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.131 -0.356 . . . . 0.0 111.263 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 120.974 0.416 . . . . 0.0 110.803 -176.293 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -100.18 134.91 42.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 -170.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.818 ' HG ' ' HB ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -135.84 167.03 21.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.644 -179.381 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.83 126.09 2.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.29 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.065 HG22 ' HA ' ' B' ' 37' ' ' SER . 66.9 t -111.08 141.82 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.53 122.51 45.73 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.666 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 36' ' ' LEU . 25.9 pt -141.62 156.75 66.3 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.633 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 31.8 Cg_exo -60.44 169.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.218 2.612 . . . . 0.0 113.09 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' OE1' ' A' ' 20' ' ' GLU . 6.7 pt20 -76.43 -34.28 58.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.624 -177.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' HG2' ' A' ' 19' ' ' GLN . 1.7 mp0 -54.42 -32.74 58.04 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.825 173.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.921 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 4.0 m95 -77.19 -57.9 3.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.261 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.517 ' HA ' HD13 ' A' ' 36' ' ' LEU . 46.9 t-80 -50.19 -47.48 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.121 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 34.4 t70 -65.79 -52.6 49.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.467 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.3 mpt_? -72.3 -34.69 68.33 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 -174.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.05 -42.41 94.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 4.9 mmt -62.81 -41.27 99.23 Favored 'General case' 0 C--O 1.22 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 111.661 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 27.3 mm-40 -57.63 -52.86 63.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.007 0.432 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 67.5 mt -63.64 -43.7 98.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.209 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.52 -36.33 80.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.506 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' MET . 28.2 mtpp -76.64 -24.72 53.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 70.0 mt-10 -60.63 -46.0 91.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.055 0.455 . . . . 0.0 110.023 171.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' ILE . 1.3 mptp? -93.1 -2.38 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.232 -174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.1 t30 65.39 54.36 1.17 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.184 0.993 . . . . 0.0 110.615 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.6 mt -133.91 168.5 18.66 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.567 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -105.09 157.46 17.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.734 ' HG ' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -60.87 -27.4 68.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 109.957 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' B' ' 15' ' ' VAL . 29.2 t -55.56 -47.74 75.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.055 171.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.615 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 63.3 m-20 -63.79 -49.3 73.47 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.067 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -33.37 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.861 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.977 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 5.2 t -70.03 -55.68 8.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.638 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.91 -32.47 70.78 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 173.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -71.33 -23.89 62.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.591 -0.693 . . . . 0.0 109.796 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -69.99 -40.44 75.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.999 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 41' ' ' ARG . 15.5 pt -69.32 -31.17 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' ' HH2' ' B' ' 21' ' ' TRP . 66.7 tttm -59.89 -48.41 81.8 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.11 -28.53 62.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.277 0.561 . . . . 0.0 109.499 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -63.45 -46.2 87.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.707 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 76.9 mt -66.4 -39.58 89.1 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.035 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.66 -43.3 93.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.323 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 . . . . . 0 CA--C 1.535 0.404 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.611 -175.486 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.65 139.09 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.673 0.273 . . . . 0.0 110.578 -169.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -102.27 127.45 49.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 -176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.734 HD13 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -128.58 145.86 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.31 179.375 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.9 124.37 8.19 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.104 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.818 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 17.5 t -109.41 155.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -135.44 124.41 24.2 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.666 HD12 ' HE3' ' B' ' 21' ' ' TRP . 22.3 pt -147.06 159.14 43.61 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 15.8 Cg_endo -56.86 158.71 16.18 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.437 2.758 . . . . 0.0 113.622 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.7 -35.97 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.182 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -57.07 -30.66 64.49 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.878 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.666 ' HE3' HD12 ' B' ' 17' ' ' ILE . 1.7 m0 -77.77 -47.23 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.319 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -56.43 -37.97 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.04 -57.93 10.66 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 3.0 mpt_? -76.07 -30.2 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 60.9 mt -63.24 -45.95 89.21 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.478 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 24.6 mmt -63.86 -37.97 89.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.14 -44.8 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.53 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' B' ' 32' ' ' LYS . 80.3 mt -64.77 -33.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.516 0.674 . . . . 0.0 110.108 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.12 -34.44 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' B' ' 26' ' ' MET . 24.9 mtpp -79.99 -39.37 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.85 -53.68 46.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.946 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' B' ' 28' ' ' ILE . 49.3 mttp -95.56 -0.9 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.148 -165.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.8 t30 69.07 55.02 0.43 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.063 0.935 . . . . 0.0 110.208 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.3 mt -135.59 166.35 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.743 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.502 ' O ' HG23 ' B' ' 39' ' ' VAL . 45.0 p -118.13 160.69 21.11 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 168.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.23 -30.83 68.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.159 0.504 . . . . 0.0 110.051 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . 1.065 ' HA ' HG22 ' A' ' 15' ' ' VAL . 8.2 t -60.98 -50.48 73.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.026 173.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' B' ' 35' ' ' THR . 19.0 m-20 -61.6 -42.01 98.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.792 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 35' ' ' THR . 77.5 t -62.35 -38.6 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.734 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.977 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 88.0 m -63.31 -63.64 1.13 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.629 0.252 . . . . 0.0 111.173 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.921 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -54.85 -42.4 71.93 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.316 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.494 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 42.1 mt -65.13 -35.33 80.78 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.721 -0.612 . . . . 0.0 110.322 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 47' ' ' TYR . . . -72.25 -21.94 61.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.993 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 20.1 mt -69.88 -39.68 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -39.54 84.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.316 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 109.452 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' B' ' 43' ' ' ALA . 22.4 t80 -62.03 -44.88 95.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.735 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.5 mt -66.9 -43.01 84.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.541 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -45.01 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -81.75 -12.99 58.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 C--N 1.324 -0.503 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.698 -179.507 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.656 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 22.6 mm . . . . . 0 C--O 1.234 0.252 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.99 129.7 45.3 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.174 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -131.65 128.22 38.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.417 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' OG ' ' B' ' 37' ' ' SER . . . -104.4 121.89 7.15 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.902 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.13 HG22 ' HA ' ' B' ' 37' ' ' SER . 56.9 t -108.2 145.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.75 118.04 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.526 0.203 . . . . 0.0 110.781 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.775 HD12 ' HE3' ' A' ' 21' ' ' TRP . 16.7 pt -140.06 161.59 54.87 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.664 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 39.1 Cg_endo -65.92 153.64 77.29 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.946 2.431 . . . . 0.0 112.933 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -27.74 68.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -53.88 -40.28 66.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.617 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.775 ' HE3' HD12 ' A' ' 17' ' ' ILE . 9.9 m0 -73.77 -40.6 63.34 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.445 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.861 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -56.17 -45.0 79.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.242 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.53 -53.49 56.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.895 0.379 . . . . 0.0 111.222 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.6 mpt_? -74.98 -38.91 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.217 -173.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.9 -44.91 88.05 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.838 -0.165 . . . . 0.0 110.876 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 95.4 mmm -67.75 -25.95 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.17 -48.47 73.37 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.72 -29.79 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.006 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -29.34 70.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.948 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.78 -38.43 54.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.028 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -44.9 96.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.961 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -96.01 -4.67 42.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.21 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 59.42 45.88 13.13 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.468 0.652 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.597 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.9 mt -133.85 169.14 17.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.786 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -103.61 159.55 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.788 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD1' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -58.69 -36.27 73.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.736 0.303 . . . . 0.0 110.534 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.77 ' HB3' HG22 ' B' ' 15' ' ' VAL . 13.8 m -56.29 -43.89 79.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.596 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.614 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 47.2 m-20 -63.88 -40.91 97.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.987 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -39.03 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.336 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 31.1 m -70.73 -53.61 14.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.806 ' HG2' ' CG1' ' B' ' 15' ' ' VAL . 7.3 ppt_? -57.17 -37.21 71.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.121 -0.362 . . . . 0.0 111.508 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.85 -31.13 71.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 110.065 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.76 62.43 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.871 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 73.0 mt -66.23 -43.7 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.29 -37.28 77.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.154 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' OE1' ' NE2' ' B' ' 51' ' ' HIS . 8.6 tp10 -68.66 -42.49 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.39 177.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -62.54 -48.67 78.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.636 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 48.8 mt -67.35 -58.09 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.368 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.04 -31.69 73.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.493 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.0 -174.625 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.697 -0.161 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.861 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 16.9 mm -125.72 155.89 35.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -99.74 131.97 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.136 0.493 . . . . 0.0 110.688 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -133.93 161.73 33.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.465 178.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -144.26 146.26 16.61 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.32 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.806 ' CG1' ' HG2' ' A' ' 41' ' ' ARG . 3.2 t -130.4 165.93 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.401 ' N ' HG12 ' B' ' 15' ' ' VAL . 16.1 m-85 -127.02 121.9 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 171.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' B' ' 21' ' ' TRP . 24.2 pt -138.17 152.26 71.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.867 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.1 157.81 19.74 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.508 2.805 . . . . 0.0 113.235 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.41 -22.6 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.036 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.672 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 24.9 mm-40 -55.19 -39.9 70.11 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.636 0.731 . . . . 0.0 109.599 173.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.46 ' CH2' ' O ' ' A' ' 41' ' ' ARG . 11.4 m0 -74.41 -50.53 18.14 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.004 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.656 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 24.3 m-70 -55.95 -50.21 71.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.503 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.14 -50.89 72.31 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.967 0.413 . . . . 0.0 111.748 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.672 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.5 mpt_? -73.13 -36.87 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.722 -174.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.17 -34.0 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.266 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 80.4 mmm -60.95 -40.95 95.23 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.549 0.214 . . . . 0.0 110.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.5 tt0 -64.38 -44.65 90.67 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.511 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.16 -35.06 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.516 0.674 . . . . 0.0 109.814 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.2 -32.32 72.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.879 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 26' ' ' MET . 91.8 mttt -81.36 -33.57 32.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.361 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 48.9 mt-10 -61.6 -53.66 53.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.603 178.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.55 -2.03 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.76 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 65.17 54.41 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.48 0.657 . . . . 0.0 111.018 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.3 mt -134.21 167.83 19.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.417 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.3 p -108.28 165.82 11.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.062 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.595 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 2.0 pt? -56.99 -35.71 69.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . 1.13 ' HA ' HG22 ' A' ' 15' ' ' VAL . 13.6 m -58.98 -47.34 85.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.582 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.2 m-20 -62.99 -49.07 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.454 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 35' ' ' THR . 94.6 t -61.76 -36.54 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.133 -176.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -64.67 -53.53 46.05 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.718 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 2.7 ppt_? -67.63 -35.53 79.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 95.1 mt -69.62 -23.95 63.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.451 0.643 . . . . 0.0 109.877 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.81 -39.07 66.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.01 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.693 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 21.0 pt -70.22 -28.59 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.225 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.08 -40.75 86.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.391 0.615 . . . . 0.0 109.634 172.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -71.36 -38.56 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.715 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -63.71 -41.44 98.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.184 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 80.4 mt -66.99 -38.64 86.39 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.694 0.283 . . . . 0.0 111.746 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.53 -40.12 43.73 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' HIS . . . . . 0.5 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 45.6 m-70 . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 32.9 mm . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.24 125.71 44.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.238 0.542 . . . . 0.0 110.895 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.58 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -132.8 166.41 22.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.898 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.27 131.36 4.83 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.019 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' B' ' 41' ' ' ARG . 14.2 t -108.75 159.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 117.68 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.775 HG22 ' HG3' ' B' ' 41' ' ' ARG . 23.4 pt -138.7 163.71 44.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.104 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' CD ' ' HB ' ' A' ' 17' ' ' ILE . 33.4 Cg_exo -60.84 150.16 84.62 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.113 2.542 . . . . 0.0 112.959 -176.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.79 -32.28 67.39 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.977 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 7.8 mm-40 -55.72 -41.99 74.67 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.362 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.77 ' HE3' HD12 ' A' ' 17' ' ' ILE . 45.0 m0 -76.25 -49.75 16.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.71 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 11.8 t-80 -53.81 -39.26 65.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.792 0.683 . . . . 0.0 110.643 -177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.93 -52.4 63.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.401 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 8.6 mpt_? -74.73 -27.97 60.58 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' A' ' 36' ' ' LEU . 77.4 mt -63.97 -41.3 97.58 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.2 mmt -62.23 -39.41 92.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.99 -46.72 83.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.04 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.62 -36.65 76.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.154 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.86 -26.55 68.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.0 mttm -79.36 -48.29 14.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.253 0.549 . . . . 0.0 109.825 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -41.68 97.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.565 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -94.94 -9.04 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.15 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 61.39 36.43 17.4 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.268 0.556 . . . . 0.0 111.653 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.0 mt -109.26 165.93 11.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 39' ' ' VAL . 68.2 p -106.17 159.44 16.09 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 25' ' ' LEU . 19.2 mt -60.61 -32.47 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.098 0.475 . . . . 0.0 110.314 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.969 ' HA ' HG22 ' B' ' 15' ' ' VAL . 2.9 m -56.87 -46.93 81.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 62.7 m-20 -63.71 -42.77 97.9 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.328 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 35' ' ' THR . 66.7 t -61.44 -47.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.879 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.614 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 0.6 OUTLIER -67.63 -50.27 58.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.702 -176.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.934 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.9 tmm_? -49.01 -54.19 16.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.109 0.563 . . . . 0.0 111.825 170.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -65.46 -21.62 66.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.048 0.452 . . . . 0.0 110.397 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.36 -35.33 71.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 14.2 mt -67.8 -34.95 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.11 -42.76 81.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.269 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' LEU . 9.9 mm-40 -70.02 -36.47 75.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.602 0.715 . . . . 0.0 109.602 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.39 -46.96 84.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.446 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 85.4 mt -63.96 -46.88 82.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.672 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.83 -42.57 99.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.747 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.141 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.042 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.71 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 4.7 mm -120.29 163.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -171.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -99.37 143.07 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.734 -173.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.49 HD23 ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -141.77 119.75 12.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.926 175.672 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.453 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -102.35 116.96 5.66 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.41 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.969 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -105.32 149.6 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.569 0.223 . . . . 0.0 110.636 -175.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.12 129.04 55.48 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 169.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.592 HD12 ' HE3' ' B' ' 21' ' ' TRP . 29.9 pt -137.89 147.31 56.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.756 0.313 . . . . 0.0 110.615 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.7 Cg_exo -63.53 169.98 8.96 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.796 2.997 . . . . 0.0 114.238 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -66.94 -38.69 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.813 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.69 -29.55 59.57 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.474 0.654 . . . . 0.0 110.707 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.934 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 6.3 m0 -76.5 -48.88 18.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.814 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' B' ' 26' ' ' MET . 28.7 m-70 -58.38 -35.97 72.8 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.16 -63.89 1.1 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.196 0.522 . . . . 0.0 111.323 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -75.55 -39.08 58.72 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.574 -0.45 . . . . 0.0 112.187 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.6 mt -66.02 -39.25 90.07 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.722 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.7 mmt -64.88 -33.63 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.43 -44.09 95.55 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.837 174.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.75 -37.03 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.907 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -60.49 -40.05 89.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.209 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -79.52 -38.5 34.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 0.0 110.214 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.88 -44.33 90.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.445 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -95.57 -1.91 49.49 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 68.59 53.32 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.416 0.627 . . . . 0.0 110.958 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.475 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.9 mt -136.62 167.44 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.033 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 30.8 p -111.51 165.39 12.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 13' ' ' LEU . 2.7 pt? -58.38 -43.95 88.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.929 0.331 . . . . 0.0 110.471 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 15' ' ' VAL . 19.6 m -60.17 -42.62 95.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HB2' ' H ' ' B' ' 35' ' ' THR . 4.6 m-20 -63.65 -42.21 98.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 35' ' ' THR . 86.4 t -63.98 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.654 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.614 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 2.7 t -64.81 -50.19 67.7 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.396 0.617 . . . . 0.0 109.764 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.775 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -53.88 -44.19 70.24 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.297 171.512 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.7 mt -67.25 -24.57 65.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.464 0.65 . . . . 0.0 110.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -73.8 -35.16 64.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.384 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 41' ' ' ARG . 33.1 pt -71.55 -29.78 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.848 177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -59.15 -44.67 92.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.543 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.11 -28.89 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.105 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.529 ' O ' ' HB2' ' B' ' 51' ' ' HIS . 57.3 t80 -63.3 -45.49 91.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.573 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 65.4 mt -65.87 -49.7 67.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.646 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.0 -46.18 91.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.93 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.79 -27.26 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 47' ' ' TYR . 5.9 m-70 . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.313 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 28.5 mm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.558 0.218 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 50.1 tptt -101.07 121.37 41.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.829 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' ' HA2' ' B' ' 14' ' ' GLY . 0.2 OUTLIER -120.19 132.74 55.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.353 -179.028 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.05 135.73 12.47 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.966 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.2 t -125.77 165.62 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.18 121.76 21.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 110.687 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.63 HD12 ' HE3' ' A' ' 21' ' ' TRP . 25.3 pt -142.68 153.58 61.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.255 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.93 151.73 47.58 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.027 2.484 . . . . 0.0 113.047 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -56.21 -46.27 79.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -59.07 -26.34 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.645 0.26 . . . . 0.0 111.694 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.675 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 0.1 OUTLIER -83.46 -44.04 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.636 ' CE1' HD22 ' B' ' 13' ' ' LEU . 0.1 OUTLIER -51.53 -51.66 53.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.459 0.647 . . . . 0.0 110.435 171.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 34.2 t70 -62.06 -42.99 99.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.119 -173.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 5.7 mpt_? -76.38 -27.11 56.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.932 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 21' ' ' TRP . 70.9 mt -64.03 -41.88 97.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 90.5 mmm -63.69 -34.51 78.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.792 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.7 mt-10 -63.14 -50.65 69.59 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 109.886 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.65 -35.09 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.051 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.21 -29.28 70.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.466 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 26' ' ' MET . 51.9 mtmt -80.11 -36.63 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.417 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.12 -48.47 78.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.494 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -91.69 -4.27 55.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.055 -170.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 61.75 52.03 3.67 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.534 0.683 . . . . 0.0 110.741 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.5 mt -134.91 168.56 18.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.267 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -104.99 164.74 11.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 37' ' ' SER . 4.0 pp -59.55 -34.36 72.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.613 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.86 ' HA ' HG22 ' B' ' 15' ' ' VAL . 16.8 m -58.68 -41.21 85.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.328 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.2 -45.4 84.94 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.365 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.57 -35.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.65 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 2.0 t -68.66 -55.77 10.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.02 -37.11 73.69 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.914 -0.491 . . . . 0.0 111.804 173.532 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 69.8 mt -67.29 -23.71 65.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.461 0.648 . . . . 0.0 109.41 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.95 -43.5 62.23 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.174 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.2 pt -69.22 -30.06 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.729 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.31 -41.08 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 109.875 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.66 -35.26 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.292 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.85 -45.6 93.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.094 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 84.5 mt -65.48 -50.8 63.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.47 -30.24 71.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.81 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.831 -179.104 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.407 HG22 ' N ' ' B' ' 12' ' ' LYS . 31.2 mm -123.89 161.66 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.407 ' N ' HG22 ' B' ' 11' ' ' ILE . 48.1 tptt -98.99 138.49 36.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.636 HD22 ' CE1' ' A' ' 22' ' ' HIS . 1.3 pt? -142.24 163.86 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.736 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -150.31 126.15 2.1 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.007 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -109.03 153.18 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.468 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 m-85 -114.22 124.92 53.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.386 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.653 HD12 ' HE3' ' B' ' 21' ' ' TRP . 23.9 pt -136.09 157.89 74.84 Favored Pre-proline 0 C--O 1.236 0.368 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.455 176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.41 177.78 3.65 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.74 2.96 . . . . 0.0 115.347 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' B' ' 20' ' ' GLU . 15.2 pt20 -61.02 -60.11 4.3 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.522 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.577 ' H ' ' HG3' ' B' ' 19' ' ' GLN . 22.4 mm-40 -59.53 -18.58 41.65 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.927 0.394 . . . . 0.0 111.96 -174.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.653 ' HE3' HD12 ' B' ' 17' ' ' ILE . 10.3 m0 -78.77 -57.22 3.87 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' B' ' 26' ' ' MET . 44.0 t60 -56.08 -43.12 77.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.508 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.32 -54.86 38.43 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.697 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mmt-85 -72.02 -35.6 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.278 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 -32.58 73.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.216 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 72.3 mmm -62.62 -41.1 98.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.985 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.8 mt-10 -61.95 -49.94 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.154 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.09 -31.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.464 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.275 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -79.52 -30.16 41.77 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.427 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 86.6 mt-10 -63.05 -49.1 75.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.815 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 10.9 mptt -95.42 -2.65 48.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.03 -174.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 66.08 46.4 2.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.388 0.613 . . . . 0.0 111.339 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -131.41 166.76 20.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.172 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 39' ' ' VAL . 73.3 p -104.63 160.15 15.19 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.868 173.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.7 pt? -58.45 -35.07 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.101 0.477 . . . . 0.0 110.065 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 15' ' ' VAL . 18.4 m -56.89 -44.82 82.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.526 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 69.4 m-20 -66.07 -48.67 70.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.383 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 35' ' ' THR . 58.9 t -59.56 -37.28 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.915 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.571 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.4 t -66.38 -59.03 4.06 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.704 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.675 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 17.6 ptt180 -59.66 -37.68 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 91.8 mt -68.8 -25.47 64.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.038 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -24.35 59.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.514 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.571 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 51.2 mt -67.83 -38.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 42' ' ' LEU . 59.4 tptt -57.96 -41.88 83.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.867 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.95 -36.53 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 109.508 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.9 -47.8 81.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.097 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.3 mt -66.34 -46.09 78.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.3 -50.13 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.886 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.49 -14.12 57.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.327 -0.373 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.541 179.554 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -100.87 121.37 41.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.206 0.527 . . . . 0.0 110.17 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -125.31 164.15 20.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.9 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.593 ' HA3' ' HZ1' ' B' ' 12' ' ' LYS . . . -145.61 136.28 6.37 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.424 -175.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.6 165.54 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.699 ' HA ' ' O ' ' B' ' 11' ' ' ILE . 4.6 m-85 -128.04 110.68 12.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.95 0.405 . . . . 0.0 110.309 171.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD22 ' B' ' 13' ' ' LEU . 32.1 pt -121.71 147.12 47.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.444 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.37 174.62 8.9 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.799 2.333 . . . . 0.0 113.823 -173.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 1.6 tp-100 -50.51 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.399 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 33.4 mt-10 -49.34 -26.6 3.24 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -81.24 -53.36 6.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -176.408 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.36 -42.14 98.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.88 -52.78 61.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.452 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -73.5 -35.22 65.6 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.624 -175.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 25' ' ' LEU . 21.9 mt -64.11 -48.19 77.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.349 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.602 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 86.5 mmm -64.49 -30.6 71.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -66.18 -50.81 62.61 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.242 0.544 . . . . 0.0 110.088 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.63 -34.47 65.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.411 0.624 . . . . 0.0 109.441 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.37 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.642 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 26' ' ' MET . 55.8 mttp -77.22 -49.71 14.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -35.96 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.254 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -91.58 -10.97 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.667 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 57.0 51.35 10.68 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.787 0.803 . . . . 0.0 109.901 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.0 mt -130.09 167.22 18.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.186 -178.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 p -104.22 155.18 18.94 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -61.79 -24.66 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.032 ' HA ' HG22 ' B' ' 15' ' ' VAL . 23.0 m -60.41 -47.34 86.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.967 169.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 31.6 m-20 -61.71 -50.34 72.83 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.57 -32.5 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.056 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' B' ' 40' ' ' CYS . 2.2 t -70.46 -54.09 13.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.966 0.413 . . . . 0.0 111.274 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.956 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.1 OUTLIER -66.21 -31.91 73.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.108 -0.37 . . . . 0.0 111.87 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.7 mt -73.5 -18.45 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.75 -46.58 58.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.271 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' B' ' 40' ' ' CYS . 5.2 pt -69.4 -29.32 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.074 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 12.8 tmtt? -60.17 -44.82 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 172.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -68.73 -33.86 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.34 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -62.68 -46.7 86.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.679 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 79.8 mt -66.67 -44.93 80.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.86 -39.96 86.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.479 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.619 -178.093 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.853 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.699 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 24.2 mm -108.84 151.65 11.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.669 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 56.0 tptt -100.39 126.05 46.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.541 0.686 . . . . 0.0 111.156 -172.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -133.13 159.85 38.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.772 178.565 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 119.01 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.034 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 1.032 HG22 ' HA ' ' A' ' 37' ' ' SER . 25.0 t -108.13 145.17 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.48 0.181 . . . . 0.0 110.955 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.27 126.0 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.423 171.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.955 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 18.6 pt -140.77 155.91 69.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.775 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.27 156.83 23.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.564 2.843 . . . . 0.0 113.93 -177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.19 -35.71 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.369 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' B' ' 20' ' ' GLU . 1.7 mp0 -54.12 -34.88 61.42 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.749 0.785 . . . . 0.0 110.149 177.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.956 ' HZ3' ' HB2' ' A' ' 41' ' ' ARG . 38.3 m0 -76.74 -45.13 30.37 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.245 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.521 ' O ' ' HG2' ' B' ' 26' ' ' MET . 0.1 OUTLIER -56.15 -44.56 79.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 178.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.89 -51.24 66.6 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -73.15 -39.67 65.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.709 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 44' ' ' ILE . 71.3 mt -66.19 -48.12 71.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 89.6 mmm -65.58 -25.51 67.44 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.039 0.447 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 5.0 tp10 -64.73 -49.84 69.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.93 -29.58 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.102 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.03 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 26' ' ' MET . 38.5 mttp -78.99 -40.01 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 28.8 mm-40 -60.64 -59.11 5.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.778 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -95.71 -2.44 47.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 66.0 t30 65.89 55.18 0.97 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.679 0.752 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.45 166.17 15.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.438 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.447 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.5 p -105.67 160.75 14.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 1.9 pt? -55.0 -42.56 72.67 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -43.2 91.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.503 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.426 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 22.0 m-20 -63.25 -46.56 86.32 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.731 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.725 HG11 HD22 ' B' ' 25' ' ' LEU . 58.0 t -60.56 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 123.197 0.311 . . . . 0.0 111.493 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.88 ' HA ' HG23 ' A' ' 44' ' ' ILE . 17.6 m -65.91 -55.76 15.26 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.144 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.773 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 5.8 ppt_? -61.43 -30.71 70.74 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.73 -31.97 72.96 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.728 -0.607 . . . . 0.0 110.077 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -75.64 -21.47 57.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.657 176.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.488 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 53.9 mt -68.37 -39.29 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' B' ' 45' ' ' LYS . 13.2 tmtt? -56.33 -48.16 77.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.255 174.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -26.88 63.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.918 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -63.6 -49.96 71.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.3 mt -66.29 -45.08 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.912 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.97 -43.17 95.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.638 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.11 -22.34 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.548 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 m80 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.624 179.29 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 C--O 1.235 0.304 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' B' ' 16' ' ' TYR . 23.3 tptm -100.11 123.4 44.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.525 . . . . 0.0 110.777 -175.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.6 OUTLIER -131.61 139.22 49.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.107 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.83 115.6 5.13 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.492 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.3 t -104.56 134.44 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.708 0.29 . . . . 0.0 110.256 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -107.43 119.63 39.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 175.47 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.873 HD12 ' HE3' ' A' ' 21' ' ' TRP . 1.8 pt -136.41 149.73 68.51 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.381 178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.858 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 72.5 Cg_exo -52.1 144.93 35.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.42 2.747 . . . . 0.0 112.968 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.07 -24.29 65.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.435 -178.796 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 18.4 mt-10 -55.43 -36.57 66.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.688 0.756 . . . . 0.0 109.891 173.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.934 ' HZ3' ' HB2' ' B' ' 41' ' ' ARG . 45.0 m0 -77.98 -35.69 49.83 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.288 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.885 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 18.3 m-70 -59.49 -45.45 91.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.656 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.67 -53.12 61.34 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 111.187 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -71.2 -45.8 62.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 HD12 ' B' ' 44' ' ' ILE . 78.2 mt -67.64 -37.86 83.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.549 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.4 mmm -64.36 -31.18 72.28 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.492 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 27' ' ' GLU . 1.3 tp10 -65.79 -43.92 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.425 0.631 . . . . 0.0 109.728 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.28 -36.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.877 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.37 -29.14 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.694 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 26' ' ' MET . 52.1 mttp -79.2 -32.92 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.57 -42.74 98.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.044 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.29 -7.27 39.25 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.22 57.27 2.99 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.956 0.884 . . . . 0.0 109.686 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 74.8 mt -138.73 168.48 19.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.955 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -103.5 144.3 31.59 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.493 HD13 HD13 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -59.13 -18.38 35.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.573 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 p -62.76 -49.23 75.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.413 171.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 15.4 t70 -66.77 -39.67 87.93 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.265 0.555 . . . . 0.0 109.875 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.38 -31.64 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.746 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.635 ' CB ' ' HG ' ' B' ' 40' ' ' CYS . 4.3 t -69.6 -48.42 60.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 5.1 ppt_? -62.73 -34.72 77.78 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.906 -0.497 . . . . 0.0 110.62 172.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 75.5 mt -64.3 -28.55 69.79 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.615 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.07 -30.47 65.16 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.837 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 32.1 mt -67.69 -42.0 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -58.3 -38.67 77.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.395 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.52 -36.82 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.426 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.449 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 83.0 mt -66.02 -49.54 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.35 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.85 -29.04 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.4 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.53 ' C ' HD21 ' A' ' 50' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.135 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.858 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.885 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 26.6 mm -115.71 159.93 15.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 22.1 tptm -99.42 133.04 44.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.147 0.499 . . . . 0.0 111.723 -170.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.733 HD21 HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -134.77 132.51 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.254 174.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.48 123.5 7.71 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.989 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 41' ' ' ARG . 10.5 t -113.99 152.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.729 0.299 . . . . 0.0 110.981 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 12' ' ' LYS . 11.1 m-85 -118.53 120.73 38.39 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.116 169.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.3 pt -129.56 144.22 52.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 51.2 Cg_exo -54.39 157.7 11.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.866 3.044 . . . . 0.0 113.869 -173.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -62.61 -31.88 72.79 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.626 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.98 -30.44 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.737 0.779 . . . . 0.0 109.97 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.739 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 7.8 m0 -79.04 -45.0 21.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.594 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' B' ' 26' ' ' MET . 22.2 t-80 -56.54 -37.18 70.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.864 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.9 -59.04 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.476 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -70.93 -49.56 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.821 -174.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.73 -47.92 76.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.512 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 97.0 mmm -67.01 -27.11 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.698 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HA ' ' OE1' ' B' ' 27' ' ' GLU . 4.7 tp10 -65.15 -42.02 94.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.393 173.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.12 -31.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.73 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.68 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.424 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' B' ' 27' ' ' GLU . 37.2 mttp -79.47 -43.86 22.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 0.0 109.606 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.95 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.096 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -95.56 -1.88 49.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 64.79 56.06 1.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.683 0.754 . . . . 0.0 110.315 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -133.78 166.37 22.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.109 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 39' ' ' VAL . 44.7 p -104.51 159.85 15.41 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 172.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.3 pt? -59.03 -32.99 70.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.989 0.423 . . . . 0.0 110.145 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.1 m -59.0 -46.2 88.76 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.759 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 27.1 m-20 -63.3 -41.63 98.98 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.308 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 35' ' ' THR . 62.5 t -61.55 -36.15 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.635 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -65.47 -61.2 2.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.996 0.426 . . . . 0.0 110.243 -178.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.934 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 4.5 ppt_? -59.0 -33.02 70.23 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 77.2 mt -68.42 -27.36 66.13 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 109.787 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -37.42 65.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.671 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.582 HD12 HD11 ' A' ' 25' ' ' LEU . 2.7 pt -69.54 -28.93 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.715 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -56.02 -48.63 75.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.245 0.545 . . . . 0.0 109.743 171.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.12 -31.47 69.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.741 0.781 . . . . 0.0 109.835 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -64.55 -42.42 95.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.429 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.0 mt -65.69 -46.07 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.387 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.26 -47.05 82.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -82.02 -19.73 39.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.356 -179.215 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mm . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -99.95 131.72 45.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.36 0.6 . . . . 0.0 111.488 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -127.16 136.61 52.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.503 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.43 118.22 5.88 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.037 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 25.6 t -108.22 144.61 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.64 121.45 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.525 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' HE3' ' A' ' 21' ' ' TRP . 30.1 pt -139.68 152.63 68.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.787 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 37.1 Cg_endo -64.91 168.21 14.16 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.335 2.69 . . . . 0.0 113.197 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 18.8 pt20 -72.88 -28.05 62.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.381 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 1.6 mp0 -56.9 -39.37 74.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.015 0.912 . . . . 0.0 109.135 174.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.765 ' CZ3' ' HB2' ' B' ' 41' ' ' ARG . 5.2 m0 -73.91 -43.91 56.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.257 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 1.4 m-70 -58.48 -42.25 87.09 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.267 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.75 -49.63 76.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.113 0.482 . . . . 0.0 110.966 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -71.74 -39.12 70.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.285 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.576 HD21 HD12 ' B' ' 44' ' ' ILE . 1.5 mm? -63.29 -48.76 76.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.13 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.21 -40.06 94.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.8 -45.81 73.72 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.567 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.53 -38.65 82.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 110.671 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.86 -44.63 96.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -77.56 -26.32 50.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.308 0.575 . . . . 0.0 110.058 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.08 -42.78 99.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.558 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -95.51 -3.01 47.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.78 40.76 5.43 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.553 0.692 . . . . 0.0 111.11 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 92.5 mt -126.28 168.66 13.8 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.522 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -103.34 156.86 17.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -57.09 -32.93 66.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.575 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.3 m -56.36 -45.8 80.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.726 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 66.1 m-20 -64.15 -44.9 90.71 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.008 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 0.1 OUTLIER -68.78 -54.34 16.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.363 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.726 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.5 ppt_? -60.19 -34.3 73.42 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.917 -0.489 . . . . 0.0 111.983 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 87.8 mt -68.31 -29.79 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.315 0.578 . . . . 0.0 109.562 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.27 -28.16 62.94 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 63.5 mt -66.98 -37.59 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -59.95 -38.71 83.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.355 173.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.658 ' HG3' ' CD1' ' B' ' 47' ' ' TYR . 12.1 mm-40 -68.85 -35.7 77.25 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.518 0.675 . . . . 0.0 109.346 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -63.5 -45.47 90.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.797 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 HD11 ' B' ' 25' ' ' LEU . 84.3 mt -67.35 -38.95 85.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.909 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.77 -47.32 84.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.093 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.518 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.4 mm -104.85 154.93 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -98.02 123.58 42.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.62 0.724 . . . . 0.0 111.603 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -129.94 135.02 47.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.739 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 121.8 7.14 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.108 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 37' ' ' SER . 50.7 t -104.39 154.53 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.47 126.67 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.525 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.698 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.1 pt -143.12 155.72 61.79 Favored Pre-proline 0 C--O 1.235 0.333 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.143 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.17 158.84 6.39 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.703 2.935 . . . . 0.0 113.508 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG3' ' OE2' ' B' ' 20' ' ' GLU . 1.4 pp0? -76.14 -31.74 58.75 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.126 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HG3' ' B' ' 19' ' ' GLN . 2.1 pm0 -61.1 -23.97 65.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.298 171.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.698 ' HE3' HD12 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -80.78 -42.77 21.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.428 176.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 26' ' ' MET . 13.5 m-70 -59.76 -35.72 75.18 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.149 0.5 . . . . 0.0 109.845 174.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.81 -64.78 0.81 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.208 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 52.6 mmt-85 -73.35 -51.9 15.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.0 mm? -65.77 -40.25 91.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.396 -171.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.586 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -68.48 -29.55 68.19 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.276 178.174 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.69 -37.62 85.11 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.611 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.426 HD12 HD13 ' B' ' 25' ' ' LEU . 73.3 mt -65.81 -35.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.524 0.678 . . . . 0.0 109.265 174.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.31 -29.26 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.912 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' B' ' 26' ' ' MET . 59.1 mttp -78.41 -39.66 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.509 ' HG3' ' NZ ' ' B' ' 32' ' ' LYS . 15.8 tp10 -61.61 -43.99 97.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.266 -1.333 . . . . 0.0 111.104 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.864 ' HA ' ' HE3' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -95.82 -2.95 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -176.107 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m120 64.97 44.76 3.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.512 0.672 . . . . 0.0 111.119 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -132.92 169.31 16.96 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.928 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.1 p -103.28 160.25 14.84 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.484 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.5 pt? -60.28 -32.91 71.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.804 0.335 . . . . 0.0 110.372 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 15' ' ' VAL . 14.8 m -58.37 -41.55 85.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.45 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.5 m-20 -63.32 -48.78 76.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.051 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.05 -35.14 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.76 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.892 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.9 t -65.51 -56.1 14.19 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.97 0.414 . . . . 0.0 110.718 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.765 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 4.4 ppt_? -63.95 -37.3 86.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.6 mt -67.3 -23.97 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.565 -0.709 . . . . 0.0 109.92 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.43 69.55 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.765 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 33.6 pt -70.46 -26.19 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.421 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.67 -42.78 97.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.028 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.84 -35.4 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.715 0.769 . . . . 0.0 108.984 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.658 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 58.3 t80 -62.08 -45.47 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.348 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.6 mt -65.83 -47.83 73.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.606 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -63.08 -38.54 91.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.271 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -77.83 -34.34 51.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.513 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.833 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 4.7 mp . . . . . 0 C--O 1.234 0.249 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 4.8 tmmm? -100.53 127.89 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.403 0.62 . . . . 0.0 110.073 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -121.96 150.54 41.88 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.524 -175.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.46 111.26 3.97 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.623 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.721 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 34.7 t -103.71 141.36 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 121.74 39.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.328 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.632 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.3 pt -139.91 149.62 59.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.94 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 33.4 Cg_exo -59.05 160.17 19.52 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.717 2.945 . . . . 0.0 114.041 -175.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.758 ' HA ' ' CD1' ' B' ' 11' ' ' ILE . 19.8 pt20 -63.9 -30.09 71.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.433 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 27.3 mt-10 -56.53 -37.63 70.73 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.952 0.882 . . . . 0.0 109.501 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.632 ' HE3' HD12 ' A' ' 17' ' ' ILE . 13.9 m0 -77.57 -52.51 8.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.657 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -53.58 -44.81 69.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.44 -50.82 68.24 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.1 mpt_? -74.2 -35.79 63.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.897 0.379 . . . . 0.0 111.072 -174.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 3.6 mm? -66.49 -48.74 68.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.76 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.475 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 94.0 mmm -63.72 -27.07 68.96 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.79 -54.02 45.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.542 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.61 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.303 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.273 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -78.0 -32.77 51.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -49.89 74.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.937 176.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -87.33 -5.2 58.98 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 64.87 45.55 3.22 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.241 0.543 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.0 mt -129.33 166.5 19.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.597 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 39' ' ' VAL . 75.1 p -104.83 157.07 17.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -59.82 -27.71 66.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.353 . . . . 0.0 110.226 174.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.052 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.2 m -60.14 -48.37 81.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 170.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.543 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 36.3 m-20 -63.71 -47.7 80.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 35' ' ' THR . 56.4 t -63.85 -28.9 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.1 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.6 t -69.87 -51.2 35.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.8 ppt_? -67.13 -31.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.975 -0.453 . . . . 0.0 111.292 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 90.9 mt -71.52 -21.23 61.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.319 0.58 . . . . 0.0 110.259 174.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -70.17 -50.48 39.84 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.032 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.777 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.6 pt -70.01 -22.03 24.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -56.65 -49.71 74.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.14 0.495 . . . . 0.0 109.679 170.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.13 -36.17 72.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.892 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 72.5 t80 -61.19 -42.25 98.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.571 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 78.3 mt -63.8 -50.87 67.27 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.763 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -60.33 -36.88 78.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.424 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.94 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.758 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 3.7 mp -119.46 150.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.69 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -100.53 130.15 46.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 109.949 -176.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.721 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -128.86 139.85 51.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.599 -176.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.484 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -104.26 118.95 6.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 1.052 HG22 ' HA ' ' A' ' 37' ' ' SER . 37.2 t -110.7 146.02 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -109.44 124.87 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.709 HD12 ' HE3' ' B' ' 21' ' ' TRP . 25.1 pt -140.51 150.45 60.73 Favored Pre-proline 0 C--O 1.236 0.391 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.87 156.11 50.76 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.876 3.051 . . . . 0.0 113.582 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -24.78 61.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.119 -176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.3 -33.45 63.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -79.12 -43.56 23.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.706 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.833 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 66.0 m80 -55.46 -40.79 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.28 -65.76 0.62 Allowed 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -73.08 -48.75 33.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.721 -171.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.631 HD11 HD21 ' A' ' 48' ' ' LEU . 4.2 mm? -66.2 -45.13 81.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.607 -174.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.669 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 81.7 mmm -66.12 -30.52 71.03 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.923 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.07 -38.16 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.401 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.39 -37.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.556 175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.86 -25.51 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.525 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 26' ' ' MET . 33.3 mmtp -77.77 -43.14 31.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -46.33 89.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -92.12 -2.05 56.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.67 51.98 0.78 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.203 0.525 . . . . 0.0 111.545 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.3 mt -134.69 167.18 21.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.905 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 39' ' ' VAL . 80.1 p -104.64 164.22 11.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 169.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.651 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 2.2 pt? -56.36 -39.89 73.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.511 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 14.6 m -56.26 -43.52 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 58.4 m-20 -64.05 -45.6 88.1 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 35' ' ' THR . 57.2 t -61.91 -42.42 94.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -175.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.777 ' HA ' HG23 ' A' ' 44' ' ' ILE . 24.8 m -63.7 -57.28 10.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.644 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.4 ppt_? -62.01 -33.72 74.87 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 42' ' ' LEU . 55.5 mt -66.36 -31.98 73.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.376 0.608 . . . . 0.0 109.75 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.892 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.16 -22.22 60.54 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.434 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.544 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 65.6 mt -67.27 -42.04 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.19 -40.48 81.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.039 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.09 -38.42 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.4 0.619 . . . . 0.0 109.957 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -62.14 -43.69 98.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.936 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 62.0 mt -69.44 -56.44 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.731 176.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -63.9 -13.83 48.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.514 -172.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -68.56 -58.13 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.481 179.736 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -100.69 122.32 43.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.738 HD13 HD12 ' B' ' 36' ' ' LEU . 1.3 pt? -133.59 133.72 42.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.936 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.584 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -103.7 129.93 10.05 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.92 175.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' B' ' 37' ' ' SER . 43.9 t -112.47 152.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -116.52 120.66 39.43 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.568 0.223 . . . . 0.0 110.728 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.806 HD12 ' HE3' ' A' ' 21' ' ' TRP . 6.7 pt -140.63 156.04 69.31 Favored Pre-proline 0 C--N 1.32 -0.688 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.714 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.79 145.9 47.93 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.336 2.69 . . . . 0.0 112.705 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -75.3 -11.78 60.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.798 -178.14 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.8 mt-10 -53.91 -42.18 68.46 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.862 0.839 . . . . 0.0 109.008 169.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.806 ' HE3' HD12 ' A' ' 17' ' ' ILE . 36.7 m0 -80.64 -34.66 34.76 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.078 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 1.239 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 59.1 m80 -56.54 -38.14 71.46 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.904 175.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.55 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.04 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 12.0 mpt_? -73.03 -44.82 60.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.782 -172.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HD12 ' B' ' 44' ' ' ILE . 66.4 mt -63.49 -47.21 82.68 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.265 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 88.1 mmm -67.43 -29.23 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.679 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.53 -49.31 66.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.076 0.465 . . . . 0.0 109.837 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ARG . 66.1 mt -62.23 -35.65 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 109.755 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.08 -28.39 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -75.57 -45.21 39.13 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.32 -37.63 88.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.381 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.69 -5.49 42.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -174.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.35 43.07 2.79 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.778 0.799 . . . . 0.0 111.092 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.642 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.6 mt -128.54 170.05 13.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.392 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -109.15 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.963 168.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.98 -37.21 76.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.338 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' B' ' 15' ' ' VAL . 20.1 m -57.22 -43.78 83.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.505 176.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.61 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 44.8 m-20 -62.77 -51.17 68.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.4 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.09 -35.47 68.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.022 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.688 ' HA ' ' CG2' ' B' ' 44' ' ' ILE . 3.7 t -71.19 -53.55 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.518 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.681 ' HB3' HG11 ' B' ' 15' ' ' VAL . 6.4 ppt_? -61.48 -37.89 85.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.749 -0.595 . . . . 0.0 111.493 173.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.76 -23.71 66.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 121.664 -0.647 . . . . 0.0 109.909 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HG22 ' B' ' 44' ' ' ILE . . . -71.78 -33.43 68.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.725 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.634 ' CG1' ' HA ' ' B' ' 40' ' ' CYS . 47.2 mt -67.01 -42.67 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.38 -41.97 86.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.133 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' ' HD1' ' B' ' 47' ' ' TYR . 4.2 tp10 -70.58 -34.6 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 59.0 t80 -63.89 -48.66 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.249 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.9 mt -67.88 -54.46 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.534 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.9 -32.99 72.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.371 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.902 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 1.239 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 34.8 mm -114.78 159.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -171.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.584 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -99.22 122.65 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.443 0.464 . . . . 0.0 110.068 -171.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -125.6 135.6 52.37 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.081 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.25 120.79 6.89 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.31 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 41' ' ' ARG . 14.9 t -107.31 158.77 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.414 ' HD1' ' HA ' ' B' ' 16' ' ' TYR . 0.0 OUTLIER -135.05 116.6 14.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' B' ' 21' ' ' TRP . 31.5 pt -140.55 150.37 60.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.957 -175.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 19.4 Cg_endo -61.45 163.78 16.98 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.926 2.417 . . . . 0.0 113.439 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -66.51 -31.77 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.676 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.53 -35.99 54.57 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.988 0.899 . . . . 0.0 109.89 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' B' ' 17' ' ' ILE . 2.6 m95 -75.89 -56.7 4.42 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.18 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.579 ' O ' ' HG2' ' B' ' 26' ' ' MET . 31.5 t60 -54.87 -43.08 72.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.53 -51.6 69.17 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -71.73 -35.25 70.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 65.8 mt -65.52 -40.25 92.77 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.969 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 91.0 mmm -62.57 -38.92 91.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.382 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.08 -44.72 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.083 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.03 -39.83 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.516 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.89 -34.81 78.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -78.23 -34.55 49.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.551 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.04 -46.67 83.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.285 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -2.65 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.05 50.53 1.43 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.49 0.662 . . . . 0.0 111.24 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.0 mt -135.59 168.36 19.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.82 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -104.43 164.91 11.41 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.042 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.422 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.772 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.3 m -58.09 -39.9 79.77 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.279 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 69.2 m-20 -64.64 -44.12 91.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.411 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -35.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.732 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.634 ' HA ' ' CG1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -65.65 -64.75 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.821 0.344 . . . . 0.0 110.206 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.9 ppt_? -58.09 -33.83 69.5 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.68 -33.89 74.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.137 -0.977 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -72.6 -29.43 63.49 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.378 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.688 ' CG2' ' HA ' ' A' ' 40' ' ' CYS . 7.3 pt -72.42 -31.32 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.456 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -62.0 -34.66 76.59 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.478 173.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.84 -39.92 76.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.685 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.455 ' HA ' ' ND2' ' B' ' 50' ' ' ASN . 40.1 t80 -66.74 -45.15 79.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.248 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 78.6 mt -66.5 -45.65 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.445 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.65 -35.38 79.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.711 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' B' ' 47' ' ' TYR . 4.2 p30 -81.75 -15.48 54.17 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.76 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.593 177.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 13.0 mm . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -99.9 132.15 45.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.343 0.592 . . . . 0.0 111.167 -168.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -129.63 145.01 51.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.789 178.443 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' CA ' ' HE3' ' B' ' 12' ' ' LYS . . . -102.39 122.01 7.38 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.861 -177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.974 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 8.8 t -113.8 150.74 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CZ ' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -133.11 117.62 17.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.183 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.701 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 31.0 pt -138.26 159.21 69.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.681 -176.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 36.9 Cg_endo -63.72 162.13 29.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.005 2.47 . . . . 0.0 113.463 -170.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.51 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.519 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 mm-40 -60.5 -30.39 69.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 0.7 OUTLIER -78.57 -45.2 22.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.877 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 42.5 m-70 -58.77 -44.87 90.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.555 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -57.93 -51.94 67.56 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.256 0.348 . . . . 0.0 111.723 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 52.6 mmt-85 -76.27 -40.3 52.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.952 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.61 -49.06 72.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.797 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 98.0 mmm -66.03 -25.59 67.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.71 0.29 . . . . 0.0 111.213 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.61 -47.87 68.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.822 177.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.86 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 109.207 173.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.661 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.18 -19.11 65.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.825 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 26' ' ' MET . 62.0 mttp -80.31 -45.86 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -62.41 -45.91 90.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.39 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -95.24 -7.54 38.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.435 -170.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 63.0 68.82 0.61 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.655 0.741 . . . . 0.0 110.905 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.661 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 93.4 mt -139.59 168.49 19.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.795 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 p -104.83 153.02 21.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.5 pt? -57.78 -33.85 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.335 0.516 . . . . 0.0 110.298 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.821 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.7 m -56.07 -43.2 77.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.217 176.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 64.8 m-20 -62.77 -39.8 95.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.67 -36.08 75.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.281 -176.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.655 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 3.7 m -69.62 -51.36 35.7 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.13 0.49 . . . . 0.0 110.271 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.858 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -48.99 -48.11 43.67 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.298 170.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 93.6 mt -67.83 -30.43 69.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.458 . . . . 0.0 110.44 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.34 -32.81 68.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.884 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.5 mt -65.43 -39.52 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -56.67 -47.19 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.904 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' A' ' 50' ' ' ASN . 30.4 tt0 -71.07 -36.25 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -62.39 -44.0 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.488 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 81.7 mt -64.81 -37.59 88.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.264 0.554 . . . . 0.0 110.079 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.45 -43.56 97.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.534 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' OE2' ' B' ' 46' ' ' GLU . 63.5 m-20 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.705 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.913 0 CA-C-O 121.103 0.279 . . . . 0.0 113.006 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.877 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.2 mm -110.81 161.47 9.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.874 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 22.2 tptm -99.39 131.46 45.39 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 111.105 -173.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.974 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 1.1 pt? -135.4 166.27 23.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.62 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.49 127.56 2.87 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.58 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 37' ' ' SER . 61.2 t -104.72 146.89 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.03 116.82 32.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.662 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.858 HG22 ' CG ' ' A' ' 41' ' ' ARG . 25.9 pt -139.63 149.78 60.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 177.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.83 151.37 20.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.436 2.757 . . . . 0.0 113.071 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.5 -25.33 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 21.7 mm-40 -59.11 -32.47 69.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.316 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 41' ' ' ARG . 13.3 m0 -75.52 -44.06 45.61 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.434 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.1 m-70 -51.18 -52.17 46.76 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.628 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.36 -49.44 77.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 67.6 mmt-85 -71.87 -46.33 58.26 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.456 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.531 HD22 HG11 ' B' ' 39' ' ' VAL . 92.5 mt -66.42 -46.28 77.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.994 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.698 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 93.4 mmm -64.85 -24.66 67.61 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -67.16 -48.44 68.0 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.243 0.544 . . . . 0.0 109.826 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.52 -35.05 68.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.847 0.832 . . . . 0.0 108.807 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.96 -20.91 66.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.017 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' B' ' 26' ' ' MET . 97.4 mttt -79.53 -43.76 22.47 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.658 ' HB2' ' HD2' ' B' ' 32' ' ' LYS . 46.9 mt-10 -60.22 -54.5 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.658 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 11.2 mptt -92.61 -1.57 56.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 t30 63.66 64.09 0.81 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.93 0.871 . . . . 0.0 110.189 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.737 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.3 mt -132.4 168.74 17.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.386 -177.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 78.1 p -114.12 162.29 16.68 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.4 pt? -61.2 -29.31 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.139 0.427 . . . . 0.0 110.154 173.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.53 -46.66 86.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.922 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.705 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 28.1 m-20 -65.17 -42.9 93.25 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.054 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.531 HG11 HD22 ' B' ' 25' ' ' LEU . 61.1 t -63.83 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.073 0.463 . . . . 0.0 110.683 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.655 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.94 -39.07 92.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.492 178.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.781 HH11 HD23 ' B' ' 42' ' ' LEU . 3.0 tmt_? -61.02 -45.47 94.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.247 172.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.781 HD23 HH11 ' B' ' 41' ' ' ARG . 79.8 mt -64.63 -29.39 70.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.299 0.571 . . . . 0.0 110.392 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -70.64 -46.58 63.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.399 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.61 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -67.65 -29.16 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.785 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.85 -45.34 92.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' A' ' 50' ' ' ASN . 33.1 tt0 -73.08 -31.86 64.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.96 -41.82 92.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.726 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.9 mt -65.39 -54.59 26.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.575 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.67 -26.19 68.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.156 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -73.94 -35.54 64.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.567 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.183 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -98.52 131.01 45.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 110.84 -171.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD22 ' CE1' ' B' ' 22' ' ' HIS . 0.9 OUTLIER -133.57 128.77 35.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.699 177.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.0 120.54 6.71 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.443 -0.885 . . . . 0.0 112.025 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.4 t -109.01 146.63 14.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.56 127.89 55.86 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.0 pt -138.36 145.72 48.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 123.261 0.351 . . . . 0.0 110.588 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 27.7 Cg_exo -63.06 171.37 6.28 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.576 2.85 . . . . 0.0 114.569 -173.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.85 -44.11 94.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.105 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' CD ' HH22 ' A' ' 24' ' ' ARG . 8.0 mm-40 -54.21 -29.52 46.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.49 0.662 . . . . 0.0 111.127 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.653 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 8.3 m0 -76.63 -56.81 4.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.615 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.756 ' ND1' HG21 ' B' ' 11' ' ' ILE . 31.9 t60 -54.11 -36.15 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.71 -66.2 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.316 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.434 HH22 ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -77.28 -38.74 50.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.3 -43.31 98.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.787 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.687 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 88.7 mmm -64.57 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.6 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.94 -41.75 90.9 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.862 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 24' ' ' ARG . 83.2 mt -61.96 -37.48 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.317 0.579 . . . . 0.0 109.663 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.16 -24.77 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.614 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HG2' ' O ' ' A' ' 26' ' ' MET . 32.1 mmtp -75.24 -40.26 59.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.96 -39.22 94.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.367 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -95.43 -3.19 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.85 40.7 7.31 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.221 0.534 . . . . 0.0 111.047 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.1 mt -128.43 166.96 17.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.715 -177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.3 p -106.3 165.22 11.41 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -58.99 -36.32 74.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.818 0.342 . . . . 0.0 110.408 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.747 ' HA ' HG22 ' B' ' 15' ' ' VAL . 13.0 m -56.82 -42.05 78.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.541 174.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.559 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 25.2 m-20 -64.31 -52.08 60.28 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.774 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.15 -33.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.643 ' HA ' HD11 ' B' ' 44' ' ' ILE . 2.9 t -69.41 -56.58 7.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.233 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 3.5 ppt_? -62.97 -28.02 69.8 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.635 -0.665 . . . . 0.0 112.179 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' ARG . 67.9 mt -72.2 -23.36 61.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 109.854 173.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -69.94 -42.44 73.25 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.192 177.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.729 ' CG2' ' HA ' ' B' ' 40' ' ' CYS . 29.2 pt -70.29 -25.88 28.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.19 -46.56 88.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.409 0.624 . . . . 0.0 109.687 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.8 -32.46 69.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.933 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.616 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 73.7 t80 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.234 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 86.8 mt -65.71 -46.92 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -46.4 89.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.975 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -174.624 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.677 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.756 HG21 ' ND1' ' A' ' 22' ' ' HIS . 35.0 mm -107.19 142.28 20.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.22 117.45 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.146 0.498 . . . . 0.0 110.212 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.772 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.89 140.51 50.74 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.665 -178.124 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.33 115.76 5.23 Favored Glycine 0 N--CA 1.44 -1.076 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.792 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 37' ' ' SER . 20.5 t -105.03 156.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -136.65 123.82 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.704 0.288 . . . . 0.0 111.008 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.515 ' HB ' ' HD2' ' B' ' 18' ' ' PRO . 17.3 pt -147.86 160.92 36.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.46 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 9.2 Cg_endo -50.61 147.31 17.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.565 2.843 . . . . 0.0 112.767 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.08 -30.24 68.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.194 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HB3' ' NH2' ' B' ' 24' ' ' ARG . 38.7 mt-10 -54.62 -35.31 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.565 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.614 ' O ' ' HB2' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -80.39 -32.31 37.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.326 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.555 ' CE1' HD22 ' A' ' 13' ' ' LEU . 32.2 m80 -63.37 -46.95 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.063 174.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.89 -55.28 36.89 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.833 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.573 ' NH2' ' HB3' ' B' ' 20' ' ' GLU . 0.3 OUTLIER -75.07 -35.92 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.778 -175.132 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 3.5 mm? -66.56 -47.5 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.652 ' O ' ' HG2' ' B' ' 30' ' ' LYS . 71.3 mmm -62.81 -34.19 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.73 -41.2 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.503 ' O ' ' HD3' ' B' ' 32' ' ' LYS . 72.1 mt -63.41 -37.29 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.913 0.864 . . . . 0.0 108.749 172.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.19 -21.48 66.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.326 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 26' ' ' MET . 35.3 mmtp -75.35 -37.66 60.54 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -61.01 -37.78 83.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.331 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' B' ' 28' ' ' ILE . 13.2 mptt -92.17 -4.28 54.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.861 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 64.52 39.95 6.46 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.363 0.601 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.9 mt -133.81 168.74 18.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.892 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.7 p -103.57 163.93 11.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.56 -32.32 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.37 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.621 ' HA ' HG22 ' A' ' 15' ' ' VAL . 18.1 m -57.34 -44.94 84.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.774 174.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.729 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 64.1 m-20 -64.75 -44.96 88.42 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.883 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.59 -32.28 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.566 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.729 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.67 -61.65 2.17 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.497 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.729 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 4.1 ppt_? -61.69 -34.71 76.23 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 67.8 mt -66.62 -30.84 71.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.554 -0.716 . . . . 0.0 110.289 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.94 -27.37 62.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.142 175.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 40' ' ' CYS . 17.6 mt -68.1 -40.74 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.64 -33.46 72.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.218 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -72.63 -39.98 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.469 0.652 . . . . 0.0 109.432 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.28 -45.27 94.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.691 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.64 -49.29 66.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.01 -31.65 70.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.499 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.28 -27.59 53.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.764 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 . . . . . 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.024 -174.859 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.402 HG13 ' CE1' ' B' ' 22' ' ' HIS . 39.0 mm . . . . . 0 C--O 1.239 0.516 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -100.74 114.72 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.704 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.768 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -110.78 165.82 11.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 -178.686 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.857 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -134.85 122.67 2.93 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.198 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.711 ' HA ' ' HB3' ' B' ' 37' ' ' SER . 13.8 t -105.56 163.78 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 15' ' ' VAL . 7.6 m-85 -128.92 123.76 33.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.2 pt -139.41 148.15 55.41 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.291 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 37.5 Cg_endo -66.45 162.99 34.13 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 123.305 2.67 . . . . 0.0 113.308 -177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.43 -17.79 64.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.536 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.44 -38.24 63.35 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.838 170.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.64 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 12.7 m0 -80.25 -41.24 25.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.811 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.76 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 6.1 m80 -60.51 -55.55 32.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.026 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . 32.2 t70 -60.98 -58.11 9.79 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.146 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 1.8 mpt_? -77.85 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 39.8 mt -66.59 -40.91 89.11 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.449 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.647 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 79.7 mtp -70.48 -27.0 63.87 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.176 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.88 -43.38 93.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.213 0.53 . . . . 0.0 109.638 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.21 -34.82 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.739 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.07 68.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.153 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.9 mttm -78.18 -36.67 47.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.16 -38.8 90.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.313 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.53 -3.88 54.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.935 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 63.37 43.43 6.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.356 0.598 . . . . 0.0 111.956 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.29 165.79 24.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -107.28 161.71 14.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.346 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 HD13 ' B' ' 13' ' ' LEU . 2.2 pt? -55.95 -42.92 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.88 0.309 . . . . 0.0 111.428 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.016 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.0 m -58.01 -43.8 86.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.706 0.289 . . . . 0.0 110.994 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.594 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.0 m-20 -65.01 -48.14 74.98 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.24 -37.27 79.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 t -67.37 -42.78 82.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HG2' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -61.17 -46.79 89.07 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.302 0.641 . . . . 0.0 111.182 173.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 69.1 mt -67.41 -24.24 65.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.29 0.567 . . . . 0.0 109.749 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.36 67.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.097 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.619 ' HB ' ' CZ2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -66.52 -41.14 88.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.665 -178.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -63.24 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.475 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.68 -33.45 72.57 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.483 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 78.2 t80 -64.22 -44.82 90.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD11 ' HE1' ' B' ' 21' ' ' TRP . 84.8 mt -65.27 -47.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.983 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -37.08 78.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.455 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -177.866 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.76 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 12.5 mm -113.41 156.89 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.857 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 21.4 tptm -99.6 125.68 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 -177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.781 HD13 HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.26 139.37 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.423 -177.069 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.708 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -103.56 118.98 6.2 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.522 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 1.016 HG22 ' HA ' ' A' ' 37' ' ' SER . 60.8 t -106.0 138.59 30.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.99 124.25 50.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -176.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.662 HG22 ' HG2' ' A' ' 41' ' ' ARG . 35.9 pt -141.8 153.33 64.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.347 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 75.0 Cg_exo -51.35 148.74 18.54 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.62 2.88 . . . . 0.0 113.493 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 20.3 pt20 -58.4 -45.07 89.07 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.632 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.596 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 54.4 mm-40 -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.433 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.619 ' CZ2' ' HB ' ' A' ' 44' ' ' ILE . 7.8 t90 -82.87 -37.84 23.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.402 ' CE1' HG13 ' A' ' 11' ' ' ILE . 39.7 t-80 -56.97 -45.72 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.254 172.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.29 -51.67 68.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.662 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.6 mpt_? -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.234 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 25' ' ' LEU . 9.2 mt -62.85 -52.16 64.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.929 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' B' ' 29' ' ' ALA . 86.6 mtp -67.38 -25.32 65.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.45 -42.8 82.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.149 0.499 . . . . 0.0 109.768 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.78 -33.51 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 109.427 173.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.36 -20.54 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.314 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 26' ' ' MET . 51.0 mttm -76.92 -45.63 27.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -58.23 -41.41 84.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.347 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.25 -4.21 46.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 59.86 44.48 13.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.623 0.725 . . . . 0.0 110.725 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.627 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 94.1 mt -128.34 171.28 12.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.571 -175.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -101.62 152.55 20.67 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -59.88 -28.95 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.127 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.711 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 15.6 m -56.94 -45.39 82.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.546 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -64.77 -36.71 85.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.18 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.217 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.8 m -67.01 -49.17 66.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.043 0.449 . . . . 0.0 110.6 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.64 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -52.96 -47.63 67.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.298 0.639 . . . . 0.0 112.24 171.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' B' ' 41' ' ' ARG . 89.9 mt -66.58 -28.31 68.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.401 0.62 . . . . 0.0 110.183 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.5 -26.7 61.01 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.131 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.58 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 12.7 mt -69.47 -40.71 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.95 -40.64 81.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.478 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.24 -40.44 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.087 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.88 -45.47 94.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.73 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.4 mt -64.28 -40.55 96.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.715 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.58 -54.77 38.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.083 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.18 -18.77 55.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.909 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.062 0.458 . . . . 0.0 110.674 178.444 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.659 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 25.2 mm . . . . . 0 C--O 1.24 0.587 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -101.43 132.4 47.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 111.125 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -131.88 165.46 23.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.705 -177.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.03 142.36 13.88 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.224 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.638 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.9 t -128.69 165.68 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -173.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' HG12 ' A' ' 15' ' ' VAL . 5.0 m-85 -132.43 135.92 46.4 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 171.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.579 HG13 ' CD2' ' A' ' 22' ' ' HIS . 4.2 pt -154.04 149.98 21.75 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.532 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 16.4 Cg_exo -66.89 -178.72 1.39 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.413 2.742 . . . . 0.0 114.694 -171.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -56.55 -60.89 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.884 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.54 -11.41 10.97 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 5.2 m95 -79.75 -56.53 4.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.697 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.5 m-70 -59.42 -36.37 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.105 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.06 -56.2 25.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.713 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.22 -35.66 58.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD22 HG11 ' A' ' 39' ' ' VAL . 29.9 mt -62.6 -51.87 65.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.802 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.683 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 63.3 mtm -67.31 -28.13 67.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.94 -48.51 71.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 109.922 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.85 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.82 -24.08 67.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.64 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HG3' ' O ' ' A' ' 26' ' ' MET . 88.6 mttt -79.4 -41.03 28.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 32' ' ' LYS . 14.4 tp10 -61.91 -56.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.731 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HD2' ' HG3' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -93.27 -2.17 55.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.146 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 t30 64.88 67.54 0.54 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.195 0.998 . . . . 0.0 110.618 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.676 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 67.2 mt -134.27 166.96 21.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.401 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.3 p -104.29 164.25 11.86 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -58.76 -36.41 74.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.788 ' HA ' HG22 ' B' ' 15' ' ' VAL . 8.0 m -59.14 -39.98 84.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.849 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 m-20 -61.77 -42.63 99.24 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.251 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.629 HG11 HD22 ' A' ' 25' ' ' LEU . 50.9 t -62.65 -39.14 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -176.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' B' ' 44' ' ' ILE . 14.7 m -68.31 -56.86 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.83 0.347 . . . . 0.0 111.286 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.673 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.6 OUTLIER -58.1 -35.63 71.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 175.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 89.0 mt -71.31 -23.66 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.845 -0.535 . . . . 0.0 110.197 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.54 -46.82 62.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.769 HG23 ' HA ' ' B' ' 40' ' ' CYS . 2.9 pt -68.83 -25.24 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.486 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.76 -48.67 80.76 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.136 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.57 -25.18 60.25 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 109.697 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 69.3 t80 -62.78 -47.13 84.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.218 174.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 82.3 mt -67.71 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.449 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.34 -39.78 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.654 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.791 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 11.6 mm -122.04 148.33 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.974 0.387 . . . . 0.0 110.01 -173.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.25 126.82 46.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 110.974 -172.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.446 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -133.62 167.24 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.627 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.89 125.19 2.32 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.865 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.788 HG22 ' HA ' ' A' ' 37' ' ' SER . 41.3 t -107.58 145.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -113.83 120.9 42.34 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.71 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.7 pt -142.43 155.43 64.17 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.116 -175.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 65.1 Cg_exo -53.46 150.82 25.7 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.883 3.055 . . . . 0.0 113.587 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 2.9 pt20 -68.44 -30.1 68.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.779 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 25.1 mt-10 -55.67 -34.3 64.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.843 0.83 . . . . 0.0 110.08 174.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.71 ' HE3' HD12 ' B' ' 17' ' ' ILE . 28.0 m0 -75.52 -42.93 51.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.7 -1.137 . . . . 0.0 109.46 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.659 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 50.0 m80 -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.68 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.84 -51.82 68.01 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 120.93 0.395 . . . . 0.0 111.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.16 -42.16 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.015 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 44' ' ' ILE . 83.4 mt -66.07 -40.13 90.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.135 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.619 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 63.9 mtm -63.02 -37.92 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.69 -42.49 91.17 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.342 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.47 -34.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.552 0.691 . . . . 0.0 109.748 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.03 -28.84 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.465 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 26' ' ' MET . 85.3 mttt -78.8 -33.24 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.23 -46.0 89.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.051 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -95.61 -4.83 43.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 59.12 45.51 14.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.751 0.786 . . . . 0.0 110.063 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -133.99 170.89 14.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.269 -175.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -103.04 161.7 13.55 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.918 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.578 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.3 pt? -59.97 -29.08 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.4 m -57.76 -45.19 86.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.96 171.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.564 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 52.6 m-20 -65.98 -49.74 66.76 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.97 -33.9 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.728 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.769 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.9 t -65.89 -55.24 18.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.397 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 7.0 ppt_? -67.37 -27.51 67.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.2 -33.14 73.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.338 0.59 . . . . 0.0 109.847 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.43 -19.58 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.261 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 40' ' ' CYS . 64.3 mt -67.56 -40.9 85.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -57.92 -39.48 78.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.746 174.537 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.58 -43.38 76.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.292 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.23 -38.99 85.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.041 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.3 mt -67.34 -51.32 53.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.825 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -62.84 -26.77 68.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.42 -36.15 68.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.419 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.525 -177.62 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 17.2 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 53.1 tptt -100.06 116.92 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -119.98 139.78 51.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.266 -179.027 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.01 120.02 6.52 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.103 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' B' ' 37' ' ' SER . 35.4 t -104.91 157.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.03 118.59 25.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' HB ' ' CE3' ' A' ' 21' ' ' TRP . 28.2 pt -130.62 145.73 58.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.696 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 51.1 Cg_exo -56.09 153.38 32.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.61 2.873 . . . . 0.0 112.08 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -74.57 -40.35 61.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.32 -35.57 80.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.502 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.117 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 26.8 t90 -83.0 -27.05 30.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.959 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' MET . 73.6 t60 -63.91 -51.34 64.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.7 172.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.61 -43.22 97.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.074 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -72.73 -36.54 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.321 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' TRP . 3.9 mm? -67.69 -31.69 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.542 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 86.1 mtp -64.98 -40.14 94.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.339 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.377 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.39 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.322 0.582 . . . . 0.0 109.696 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.62 -30.39 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.847 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.32 -37.0 60.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.403 0.62 . . . . 0.0 109.485 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -65.63 -42.72 91.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.322 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -2.6 47.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m120 66.2 53.19 1.07 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.582 0.706 . . . . 0.0 111.174 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 91.6 mt -134.37 167.67 20.31 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.276 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.0 p -103.95 165.61 10.93 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.1 pt? -56.24 -37.97 70.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 109.975 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.777 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.6 m -58.33 -44.1 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.722 174.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.3 m-20 -63.1 -50.0 72.22 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.89 -35.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.562 0.22 . . . . 0.0 111.117 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.82 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 3.6 t -68.28 -50.43 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.232 0.539 . . . . 0.0 110.198 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.994 ' HG3' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -55.53 -47.56 76.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 172.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.5 mt -68.02 -18.22 64.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.363 . . . . 0.0 110.28 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.569 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -70.43 -36.41 73.97 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.595 174.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 20.6 mt -66.75 -40.61 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.19 -41.56 88.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.6 -33.8 71.45 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.669 0.747 . . . . 0.0 109.033 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.98 -48.63 78.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.625 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 77.1 mt -68.66 -46.51 68.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.011 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.85 -49.43 75.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.792 -173.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.145 -173.785 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.962 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mm -104.09 152.94 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -99.47 121.07 40.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.889 0.376 . . . . 0.0 110.589 -173.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -132.97 135.23 45.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.528 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -104.56 119.23 6.18 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.336 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 37' ' ' SER . 42.0 t -103.92 152.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 4.2 m-85 -117.26 119.13 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.781 175.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.994 HG22 ' HG3' ' A' ' 41' ' ' ARG . 17.5 pt -135.23 147.7 63.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.576 ' HB2' ' HG2' ' B' ' 20' ' ' GLU . 17.9 Cg_endo -59.43 160.83 18.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.608 2.872 . . . . 0.0 113.145 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.17 -30.32 70.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.028 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.576 ' HG2' ' HB2' ' B' ' 18' ' ' PRO . 4.9 pt-20 -60.78 -26.11 67.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 111.028 175.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.605 ' HE3' HD12 ' B' ' 17' ' ' ILE . 8.2 m0 -78.78 -44.0 24.19 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' B' ' 26' ' ' MET . 14.5 m-70 -59.6 -36.54 76.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.785 0.326 . . . . 0.0 110.398 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.64 -60.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.48 -47.68 31.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.856 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.4 mm? -64.22 -52.64 57.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -175.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 87.0 mtp -66.69 -28.62 68.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.0 -40.88 87.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.232 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.49 -40.22 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.689 . . . . 0.0 109.633 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.34 -25.11 67.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.997 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.33 -40.23 51.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.404 0.621 . . . . 0.0 109.331 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.86 -44.41 93.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.973 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.05 -3.7 55.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.281 -173.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m120 64.39 48.18 2.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 86.9 mt -124.05 166.19 16.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.876 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -104.47 157.74 16.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.4 pt? -59.88 -29.02 68.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.442 . . . . 0.0 109.914 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 15' ' ' VAL . 16.6 m -58.74 -44.66 90.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.658 173.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 55.4 m-20 -63.62 -42.41 98.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.007 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.27 -39.65 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.0 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' CYS . . . . . 0.82 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -63.18 -57.98 8.71 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.945 0.402 . . . . 0.0 110.146 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 1.117 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.549 0.74 . . . . 0.0 112.169 173.276 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.4 mt -64.89 -28.52 69.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 0.0 110.571 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -73.73 -23.9 59.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.125 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.715 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 22.5 mt -70.53 -34.02 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.8 -41.78 91.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.975 173.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 50' ' ' ASN . 5.2 tp10 -67.42 -34.93 78.25 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.97 -41.97 93.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.655 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.71 -58.62 3.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.64 -29.84 68.31 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 46' ' ' GLU . 17.2 t-20 -80.56 -32.82 36.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.804 0.335 . . . . 0.0 111.234 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 . . . . . 0 C--N 1.327 -0.372 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.225 -179.252 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 7' ' ' LEU . 80.5 mtm180 52.17 67.13 4.29 Favored Pre-proline 0 N--CA 1.465 0.285 0 C-N-CA 122.713 0.405 . . . . 0.0 111.442 -175.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.52 -27.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.744 2.296 . . . . 0.0 111.75 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.03 168.15 25.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.982 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 tptt 64.3 -67.22 0.11 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.204 0.94 . . . . 0.0 112.698 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 93.6 mt -85.88 25.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.08 0.467 . . . . 0.0 111.774 -170.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.22 -40.61 12.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 46.09 49.75 12.13 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.908 0.755 . . . . 0.0 112.062 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.24 102.69 0.2 Allowed Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.198 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.62 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.3 mm -120.66 156.24 23.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' B' ' 16' ' ' TYR . 20.5 tptm -99.45 132.44 44.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 111.917 -168.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -130.3 135.26 47.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.519 175.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 109.22 3.44 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.707 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 12.7 t -104.08 146.68 11.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.655 0.264 . . . . 0.0 110.397 -174.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 6.4 m-85 -127.55 120.0 27.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.219 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HE3' ' A' ' 21' ' ' TRP . 26.3 pt -129.12 161.23 59.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.587 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.36 156.29 22.0 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.779 2.319 . . . . 0.0 112.886 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG2' ' HD2' ' B' ' 6' ' ' LYS . 21.1 tp60 -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 8.4 mm-40 -60.22 -19.76 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.704 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -81.6 -51.63 8.03 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -58.2 -37.09 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.738 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.42 -56.52 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.235 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 67.8 mmt-85 -74.19 -34.29 63.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 110.489 -173.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.59 -46.82 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.9 mmm -65.86 -28.66 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.75 -52.27 57.89 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.334 0.588 . . . . 0.0 109.576 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.75 -32.88 57.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -27.55 69.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.552 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 26' ' ' MET . 34.3 mmtp -75.95 -37.1 58.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.69 -33.85 76.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.823 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.2 -4.39 42.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 62.23 38.89 13.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.148 0.975 . . . . 0.0 110.297 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.609 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 97.1 mt -130.77 169.87 15.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.598 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -104.85 161.66 13.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.4 pt? -58.89 -31.32 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.052 0.387 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.587 ' HA ' HG22 ' B' ' 15' ' ' VAL . 19.0 m -56.81 -41.39 77.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.618 176.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 m-20 -66.44 -42.43 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.778 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.4 -36.11 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.933 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 1.6 t -65.78 -51.94 55.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 3.8 tmt_? -48.98 -46.37 43.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.589 169.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 95.6 mt -66.52 -25.9 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.408 . . . . 0.0 111.067 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' B' ' 43' ' ' ALA . . . -70.25 -49.07 53.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.09 -177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.8 pt -69.03 -28.53 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.813 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HD3' ' HZ2' ' B' ' 21' ' ' TRP . 26.2 tptp -59.31 -49.59 77.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.235 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.79 -25.74 59.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 71.0 t80 -61.78 -44.19 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.753 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 92.3 mt -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.58 -27.61 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.11 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -84.68 -41.72 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -89.2 -14.73 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -139.3 130.51 26.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.057 0.455 . . . . 0.0 109.864 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.38 -2.14 29.47 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -83.6 -47.92 10.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp 57.42 72.35 0.52 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.66 0.6 . . . . 0.0 111.002 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.838 -177.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' B' ' 7' ' ' LEU . 52.3 mtm180 62.52 74.46 0.47 Allowed Pre-proline 0 N--CA 1.466 0.348 0 C-N-CA 122.986 0.514 . . . . 0.0 110.779 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.516 ' HB2' ' CD2' ' B' ' 5' ' ' TYR . 10.4 Cg_exo -72.4 -51.44 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.784 2.323 . . . . 0.0 112.042 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' B' ' 4' ' ' PRO . 29.7 p90 -149.19 160.95 42.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.945 -176.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.401 ' HD2' ' HG2' ' A' ' 19' ' ' GLN . 47.2 tptt 69.59 -51.35 0.62 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.19 0.931 . . . . 0.0 111.999 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.443 ' O ' ' HD2' ' B' ' 3' ' ' ARG . 98.5 mt -85.35 11.97 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.04 0.448 . . . . 0.0 111.73 -173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.43 -25.67 25.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 29.4 t30 48.09 58.27 5.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.944 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.31 105.45 0.25 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.928 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 35.4 mm -110.98 151.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 20.0 tptm -99.59 122.62 42.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.413 0.625 . . . . 0.0 110.952 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.707 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -131.03 132.12 44.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.155 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -103.7 120.83 6.85 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.54 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.1 t -104.76 151.54 7.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 11.4 m-85 -128.05 113.47 15.84 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.774 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.2 pt -133.61 155.41 80.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.35 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.8 158.1 34.82 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 123.679 2.919 . . . . 0.0 113.682 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HA ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -70.34 -22.02 62.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.117 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 5.5 mm-40 -50.44 -44.12 55.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.53 0.681 . . . . 0.0 110.165 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.774 ' HE3' HD12 ' B' ' 17' ' ' ILE . 42.1 m0 -77.6 -33.74 53.67 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.38 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.62 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 21.6 m-70 -60.65 -38.43 84.83 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.536 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' B' ' 24' ' ' ARG . 10.2 t70 -60.48 -61.18 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.473 . . . . 0.0 110.835 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 13.9 mmt180 -72.46 -51.48 19.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -170.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.2 mm? -65.57 -44.84 85.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.375 -173.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 91.5 mmm -67.06 -30.46 70.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.028 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.28 -39.7 89.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.599 0.714 . . . . 0.0 109.704 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.14 -35.46 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.665 0.745 . . . . 0.0 109.063 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.92 -16.65 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.662 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 26' ' ' MET . 28.2 mmtp -78.29 -50.74 11.28 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 174.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.8 -37.95 80.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -91.67 -14.58 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.704 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.27 54.2 3.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.845 0.831 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.682 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.2 mt -135.22 168.92 18.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.632 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -103.99 156.22 18.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 17' ' ' ILE . 2.7 pt? -60.31 -29.19 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 15' ' ' VAL . 9.4 m -57.31 -42.16 81.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.271 174.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 38.5 m-20 -64.96 -47.06 78.96 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.708 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.54 -38.58 82.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.364 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.612 ' HA ' HG23 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.88 -51.73 63.2 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.417 0.627 . . . . 0.0 109.513 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.639 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.32 -49.35 67.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.919 0.888 . . . . 0.0 111.971 171.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 97.2 mt -64.28 -32.01 73.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.204 0.526 . . . . 0.0 110.429 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.443 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -73.37 -23.25 60.16 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.535 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 40.5 mt -68.54 -44.16 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -60.02 -33.71 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.169 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.55 -44.28 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.258 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.453 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 64.7 t80 -60.85 -40.23 92.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.272 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 88.5 mt -65.87 -50.47 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.78 -34.3 76.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -173.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -77.6 -24.69 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.146 -0.346 . . . . 0.0 111.763 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 66.3 m-70 -95.07 -49.81 5.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.522 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -110.39 137.5 48.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.708 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.32 24.46 12.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.67 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.38 -22.86 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 59.45 36.73 23.18 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.24 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.922 -179.344 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -108.57 102.08 45.91 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.899 0.35 . . . . 0.0 110.492 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.541 ' HG2' ' HB2' ' A' ' 7' ' ' LEU . 71.9 Cg_endo -83.37 129.83 5.21 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.577 2.185 . . . . 0.0 112.296 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 14.6 p90 -79.9 -4.09 50.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 -176.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.675 ' NZ ' ' OE2' ' B' ' 20' ' ' GLU . 28.4 tptp -90.97 -32.4 15.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.329 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.541 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . 89.2 mt -94.0 -43.63 8.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 4' ' ' PRO . 3.8 mm? -96.77 83.49 3.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.073 0.463 . . . . 0.0 110.013 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' TYR . 30.0 t-20 -152.88 141.25 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.25 136.69 4.35 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.785 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 12.0 mm -120.06 152.56 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -99.99 130.57 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 111.512 -174.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.479 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.7 122.65 7.58 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.499 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.79 HG22 ' HB3' ' B' ' 37' ' ' SER . 6.4 t -112.26 163.68 8.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.63 128.16 30.62 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.944 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 10' ' ' GLY . 4.8 pt -150.81 153.64 33.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.942 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 40.7 Cg_exo -58.35 162.02 12.94 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.594 2.863 . . . . 0.0 113.567 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.962 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 20.7 pt20 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.464 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.631 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 1.6 pm0 -61.86 -19.7 62.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 8.4 m95 -79.19 -48.36 14.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 1.064 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -61.21 -33.97 74.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.73 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.09 -53.83 53.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.373 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -73.36 -30.71 63.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.839 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB2' ' A' ' 36' ' ' LEU . 70.9 mt -63.81 -51.18 65.92 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.17 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.77 -56.72 14.95 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.293 0.568 . . . . 0.0 109.994 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 72.4 mt -63.2 -42.91 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.68 -22.11 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.434 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 34.1 ttpt -78.3 -51.4 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.218 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.95 -38.98 93.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 4.3 mptp? -93.16 -4.34 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -171.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 62.73 61.16 1.21 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 122.014 0.911 . . . . 0.0 110.043 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.3 mt -135.54 166.82 22.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.701 HG22 HD23 ' A' ' 36' ' ' LEU . 1.3 m -109.78 158.47 18.11 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.97 -36.62 75.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.135 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.973 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.4 p -58.55 -43.11 89.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.639 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.5 m-20 -64.68 -45.47 86.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.85 -32.03 55.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.68 0.276 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 2.6 t -69.06 -56.13 8.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.804 0.335 . . . . 0.0 110.639 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.652 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.6 ppt_? -59.04 -35.58 73.56 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.987 -0.445 . . . . 0.0 112.165 173.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.1 mt -68.06 -23.28 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.661 -0.649 . . . . 0.0 109.545 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.53 -31.55 65.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.548 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.818 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 29.0 mm -64.61 -49.2 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.6 -36.17 73.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.553 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' CD2' ' B' ' 47' ' ' TYR . 5.7 tp10 -71.53 -39.05 70.98 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.631 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 63.0 t80 -62.93 -47.47 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.289 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.6 mt -66.28 -50.87 62.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.0 -40.18 90.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.434 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.99 -26.64 43.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.285 -173.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' HE2' ' CD ' ' B' ' 46' ' ' GLU . 50.8 m-70 -88.28 -58.27 2.62 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.431 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -95.89 77.52 3.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -70.39 -2.08 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.319 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.48 77.19 9.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.267 0.556 . . . . 0.0 110.347 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -82.08 -61.69 1.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.39 174.59 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -105.94 109.9 63.59 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.458 ' HB3' HD12 ' B' ' 7' ' ' LEU . 10.1 Cg_exo -71.29 83.1 1.01 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.851 2.367 . . . . 0.0 111.128 177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -82.58 -22.08 34.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.059 0.457 . . . . 0.0 110.322 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.631 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 19.7 tptp -100.28 -20.23 15.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.338 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' B' ' 4' ' ' PRO . 92.2 mt -88.31 -51.85 5.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.655 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' B' ' 8' ' ' LEU . 4.2 mm? -93.16 46.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.962 ' OD1' ' N ' ' A' ' 19' ' ' GLN . 22.5 t-20 -78.22 132.0 37.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.217 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . -163.13 121.76 1.04 Allowed Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.832 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 1.064 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 26.5 mm -104.76 149.96 7.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.13 128.86 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 0.0 110.276 -173.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -132.07 165.76 23.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.687 -177.585 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -140.31 122.11 2.11 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.243 -0.979 . . . . 0.0 111.987 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.973 HG22 ' HA ' ' A' ' 37' ' ' SER . 40.4 t -104.74 144.88 13.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.13 119.04 37.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.627 HD12 ' HE3' ' B' ' 21' ' ' TRP . 39.1 pt -142.11 154.67 64.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.43 170.2 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 124.105 3.203 . . . . 0.0 114.103 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -80.72 -36.51 32.02 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.715 -175.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.675 ' OE2' ' NZ ' ' A' ' 6' ' ' LYS . 3.9 pm0 -61.27 -21.74 64.2 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.435 0.635 . . . . 0.0 110.026 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.818 ' CH2' ' HB ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -79.6 -47.16 15.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.987 177.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.489 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.2 m80 -57.98 -37.99 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.96 -55.51 33.97 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.29 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 12.3 mpt_? -74.96 -35.92 62.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.523 HD23 HD12 ' B' ' 28' ' ' ILE . 59.1 mt -67.95 -34.39 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.5 mtt -66.71 -33.32 75.39 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.041 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.61 -40.82 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.523 HD12 HD23 ' B' ' 25' ' ' LEU . 82.4 mt -65.91 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.59 174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.023 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -84.1 -58.25 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.805 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.479 ' HB3' ' HD2' ' B' ' 32' ' ' LYS . 27.9 tt0 -62.3 -42.49 99.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.893 -173.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' HB3' ' B' ' 31' ' ' GLU . 2.5 mptp? -95.5 -8.33 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.153 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 61.27 53.71 3.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.725 0.774 . . . . 0.0 110.592 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -128.82 169.33 14.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.706 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -104.58 153.81 20.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -58.6 -33.54 70.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.004 0.431 . . . . 0.0 110.605 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.79 ' HB3' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -57.59 -40.6 79.41 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.927 173.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 48.9 m-20 -65.07 -50.29 66.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.66 -38.15 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.636 ' SG ' HG12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -65.33 -60.43 2.99 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.762 0.315 . . . . 0.0 110.531 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.591 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 2.5 ppt_? -63.31 -33.61 75.89 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 41' ' ' ARG . 80.5 mt -68.05 -31.43 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.357 0.599 . . . . 0.0 109.696 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.3 -24.18 62.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.278 176.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 57.7 mt -66.96 -42.99 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -55.8 -48.7 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' CD ' ' HE2' ' A' ' 51' ' ' HIS . 38.9 tt0 -71.81 -27.58 63.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.077 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.616 ' CD2' ' HG2' ' A' ' 46' ' ' GLU . 62.9 t80 -62.03 -45.91 91.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.422 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 38.8 mt -69.6 -51.14 37.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.747 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.411 ' OD1' ' HE2' ' B' ' 55' ' ' LYS . 20.6 t70 -59.54 -38.43 81.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.403 -173.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -80.99 -19.28 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.588 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 49.4 m170 -86.19 -47.59 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.313 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -101.94 97.93 8.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.58 -6.62 59.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.129 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -89.76 109.13 20.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.411 ' HE2' ' OD1' ' B' ' 49' ' ' ASP . 20.1 mmmt -112.27 -55.95 2.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.534 0.683 . . . . 0.0 109.936 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.248 1.01 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.892 178.507 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -120.27 95.48 49.07 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' HG2' ' A' ' 6' ' ' LYS . 72.7 Cg_endo -76.98 -14.7 16.87 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.368 2.045 . . . . 0.0 112.122 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 62.98 13.64 6.85 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.521 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HG2' ' HB2' ' A' ' 4' ' ' PRO . 70.7 mmtt -93.76 -50.96 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.876 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.0 tp 55.3 51.99 12.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.628 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.5 mt 59.1 33.23 22.76 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.843 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 56.08 53.79 8.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.885 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.35 134.58 3.36 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.158 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.47 140.23 48.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB2' ' HE1' ' B' ' 16' ' ' TYR . 5.0 tppp? -100.32 130.02 46.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.322 0.582 . . . . 0.0 110.83 -171.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD13 ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.526 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.3 104.81 2.68 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.698 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' B' ' 37' ' ' SER . 13.1 t -104.23 158.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -132.57 133.71 44.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.297 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.7 pt -136.21 150.4 70.85 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.96 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 71.8 Cg_exo -51.73 147.44 24.46 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.453 2.769 . . . . 0.0 113.013 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 1.018 ' HG3' ' HA ' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -57.75 -56.23 24.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.96 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 13.5 mm-40 -58.43 -27.84 64.71 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.96 ' HE3' ' HD2' ' A' ' 18' ' ' PRO . 21.1 t90 -82.42 -37.2 25.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.54 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.5 t60 -62.11 -40.07 94.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.801 172.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 27.1 t70 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.899 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 11.3 mpt_? -75.73 -27.91 58.34 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.754 0.312 . . . . 0.0 110.267 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.71 -36.33 83.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.268 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 61.1 mtm -64.56 -42.21 95.81 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.304 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.02 -46.12 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.01 -35.72 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.254 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.95 -38.19 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.396 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.45 -30.83 53.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 110.47 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.98 -41.38 97.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -95.72 -4.46 44.1 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 62.81 44.76 6.12 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.56 0.695 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.2 mt -130.83 168.95 16.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.238 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.6 p -103.26 159.25 15.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.643 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.4 pt? -59.12 -32.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.108 0.48 . . . . 0.0 110.119 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.85 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.3 m -57.48 -41.16 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.692 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.3 m-20 -64.75 -45.74 85.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.52 -31.73 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.992 ' HG ' ' CB ' ' B' ' 40' ' ' CYS . 4.9 t -68.38 -57.19 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.887 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.1 -29.95 70.06 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.021 -0.425 . . . . 0.0 112.114 174.054 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 70.5 mt -72.54 -22.23 61.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 110.495 174.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -71.02 -44.77 65.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.208 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.658 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 2.6 pt -69.64 -26.2 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.347 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.21 -40.88 95.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 5.7 tp10 -69.62 -37.69 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.681 0.753 . . . . 0.0 108.991 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -62.6 -49.95 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.549 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.7 mt -68.3 -59.39 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.06 -12.82 21.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.379 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.7 t-20 -74.02 -54.2 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.272 -0.268 . . . . 0.0 110.511 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -95.42 -15.4 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -137.34 71.79 1.41 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 0.0 111.321 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -76.57 -42.27 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.252 0.548 . . . . 0.0 109.607 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -91.31 116.27 28.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.609 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -98.78 63.88 1.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.562 0.696 . . . . 0.0 110.317 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.251 1.154 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.131 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.36 91.01 45.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -74.43 -6.27 18.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.831 2.354 . . . . 0.0 112.325 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 70.07 -48.41 0.63 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.889 0.876 . . . . 0.0 111.793 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 1.018 ' HA ' ' HG3' ' A' ' 19' ' ' GLN . 74.1 mmtt -85.56 -64.52 1.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -172.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.0 tp 55.89 65.37 1.47 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.488 0.492 . . . . 0.0 110.79 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.4 mt 65.94 16.87 10.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.723 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 1.0 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 39.4 m-80 55.91 59.58 3.7 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.232 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.21 108.8 0.37 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.598 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.49 HD11 ' HG2' ' A' ' 19' ' ' GLN . 22.1 mm -106.62 156.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.71 127.96 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 110.268 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.85 ' HB3' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -134.12 128.55 34.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.836 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.31 120.38 6.73 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.753 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.85 HG22 ' HA ' ' A' ' 37' ' ' SER . 46.4 t -103.4 155.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.435 ' HE1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -133.2 113.17 12.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.559 0.219 . . . . 0.0 110.563 -174.122 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' B' ' 18' ' ' PRO . 7.3 pt -141.94 145.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.519 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' B' ' 21' ' ' TRP . 4.6 Cg_exo -77.0 -175.14 2.49 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.807 3.005 . . . . 0.0 115.107 -169.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.646 ' HG2' ' N ' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -51.13 -55.72 16.36 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.466 -178.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.646 ' N ' ' HG2' ' B' ' 19' ' ' GLN . 6.2 mm-40 -48.27 -36.1 13.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.224 0.61 . . . . 0.0 111.897 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.498 ' CD1' ' HD2' ' B' ' 18' ' ' PRO . 16.4 m95 -74.98 -54.87 6.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.421 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' B' ' 26' ' ' MET . 15.3 m-70 -58.67 -39.95 82.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.132 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.84 -55.2 38.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 111.178 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 10.1 mpt_? -73.45 -37.18 65.92 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.453 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 68.8 mt -64.51 -45.39 87.44 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.736 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 57.8 mtm -63.13 -33.9 76.45 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.92 -48.44 80.41 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.025 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.35 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 0.0 109.672 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.94 -25.74 68.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.86 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.736 ' HG3' ' O ' ' B' ' 26' ' ' MET . 81.7 mttt -79.29 -45.73 19.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.4 -36.87 83.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.086 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.14 -4.16 46.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.35 39.66 18.47 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.152 0.501 . . . . 0.0 111.97 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.612 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -120.1 167.12 12.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.114 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 79.7 p -106.95 150.28 26.62 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 166.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.674 ' CD1' HD13 ' A' ' 13' ' ' LEU . 3.5 pp -63.95 -23.25 67.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 -175.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.757 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.5 m -59.26 -47.36 85.64 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 109.84 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -63.9 -46.75 83.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.694 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.35 -34.06 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.992 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -64.13 -61.72 2.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.409 -179.217 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.741 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.74 -33.51 73.03 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 64.4 mt -67.27 -33.26 74.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.046 0.451 . . . . 0.0 110.111 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.45 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -74.79 -21.16 59.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.091 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.926 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 49.3 mt -68.72 -39.93 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -56.72 -46.7 81.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.021 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' ASP . 0.4 OUTLIER -70.88 -30.5 66.88 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 178.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -61.55 -44.39 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.282 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.7 mt -68.87 -44.12 73.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.853 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' B' ' 46' ' ' GLU . 38.2 t70 -61.3 -29.77 70.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.382 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.48 -35.88 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.821 0.344 . . . . 0.0 110.892 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -93.49 -49.12 6.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.38 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -138.62 101.08 4.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.96 -20.67 28.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.338 0.589 . . . . 0.0 109.809 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -92.63 125.38 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.969 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -117.78 129.3 55.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.191 -177.297 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -129.82 80.9 70.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.685 0.243 . . . . 0.0 111.153 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.523 ' HB2' ' HD1' ' A' ' 5' ' ' TYR . 10.4 Cg_exo -71.99 -53.81 0.16 Allowed 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 122.616 2.211 . . . . 0.0 111.466 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.523 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 13.4 p90 -151.46 -37.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 31.6 mmmt -135.25 -176.29 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.861 173.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.0 mt -89.6 67.23 7.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.904 0.383 . . . . 0.0 111.274 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.7 mt 55.1 26.57 8.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.643 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.63 ' CG ' ' HG2' ' B' ' 19' ' ' GLN . 3.5 t30 58.3 29.12 17.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.9 145.31 10.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.79 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.672 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.9 mm -131.49 146.63 33.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.12 139.01 37.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 -172.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.9 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -127.86 154.25 45.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.294 0.568 . . . . 0.0 112.095 -172.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 118.79 6.01 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.134 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.554 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 16.4 t -112.24 161.73 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' ILE . 30.2 m-85 -135.94 144.98 45.74 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 21' ' ' TRP . 1.8 pt -155.94 149.79 19.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.388 170.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 89.1 Cg_exo -49.51 165.98 0.23 Allowed 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 124.021 3.147 . . . . 0.0 114.951 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.92 -42.82 80.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.752 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 37.0 mt-10 -57.06 -26.35 60.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.267 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 17' ' ' ILE . 20.2 m95 -79.95 -45.03 19.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.202 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 14.2 m-70 -65.61 -43.22 90.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.4 -49.19 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.115 0.483 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 6.6 mpt_? -74.52 -41.61 60.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 17.1 mt -65.7 -33.11 75.12 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.184 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.604 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 2.8 mmt -62.68 -45.72 91.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.664 0.269 . . . . 0.0 110.78 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.71 -45.19 75.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.604 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 89.8 mt -63.3 -39.42 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.947 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.44 -25.99 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -74.85 -39.61 61.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.525 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.67 -39.88 95.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.227 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 3.6 mptp? -95.06 -5.47 44.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.73 51.13 4.02 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.893 0.854 . . . . 0.0 110.193 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.4 mt -135.46 168.47 19.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.185 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.6 p -104.1 161.97 13.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD12 HD13 ' B' ' 13' ' ' LEU . 2.1 pt? -58.7 -36.39 74.15 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.548 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.949 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.7 m -57.75 -43.97 85.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 174.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 53.7 m-20 -64.73 -48.59 74.05 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.33 -35.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.667 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 1.1 t -69.84 -52.31 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.4 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.686 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 0.2 OUTLIER -59.13 -39.03 81.07 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.992 -0.442 . . . . 0.0 111.497 174.122 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.0 mt -66.67 -29.52 69.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.51 0.671 . . . . 0.0 109.699 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.34 63.76 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.424 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.716 HG21 HD11 ' B' ' 25' ' ' LEU . 36.4 mt -68.55 -39.79 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -59.55 -39.71 84.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.86 -37.58 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.728 0.775 . . . . 0.0 109.254 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.71 -45.29 93.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.447 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 HD21 ' B' ' 25' ' ' LEU . 88.8 mt -65.26 -50.64 64.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.639 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.553 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -59.78 -32.83 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.574 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.53 -21.05 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -95.18 -26.27 16.05 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.375 -0.203 . . . . 0.0 111.489 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.37 139.33 30.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.68 -17.13 36.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.051 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.93 38.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.0 110.613 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 40.2 mmtm -127.24 -81.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttp . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.477 -179.747 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -127.3 88.94 52.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 122.95 -0.147 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.22 -61.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.459 2.106 . . . . 0.0 111.476 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -152.16 -65.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -100.13 179.55 4.45 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 169.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.53 87.24 5.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.726 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.6 mt 62.56 8.04 2.72 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.52 174.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 94.5 m-20 57.21 30.68 18.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.061 -172.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.46 119.52 0.89 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.611 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mm -109.63 157.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -166.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -99.33 131.16 45.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.206 0.527 . . . . 0.0 110.247 -169.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -130.32 138.36 50.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.062 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.58 112.07 4.09 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.936 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 37' ' ' SER . 47.9 t -104.24 142.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.96 124.16 50.96 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.701 HD12 ' HE3' ' B' ' 21' ' ' TRP . 15.1 pt -140.22 151.43 64.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.889 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.9 Cg_exo -61.96 159.73 32.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.729 2.953 . . . . 0.0 112.919 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.63 ' HG2' ' CG ' ' A' ' 9' ' ' ASN . 1.5 pt20 -73.14 -20.09 60.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.05 -33.57 69.15 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 109.508 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.701 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -80.29 -41.65 24.55 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.798 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.672 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 26.5 m80 -57.09 -42.71 81.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.623 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.58 -62.87 1.55 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.508 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -72.49 -50.18 27.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' ILE . 91.1 mt -66.72 -43.21 84.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.647 -174.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 88.5 mtp -68.53 -23.91 64.58 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.436 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.44 -40.89 93.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 170.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' OE2' ' B' ' 31' ' ' GLU . 70.8 mt -65.55 -38.85 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 176.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.9 -25.8 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.579 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -78.31 -34.8 48.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.121 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 28' ' ' ILE . 40.7 mt-10 -64.96 -48.0 75.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.399 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 3.3 mptp? -94.92 -3.42 48.68 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 65.6 57.93 0.84 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.143 0.973 . . . . 0.0 110.028 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -133.77 168.56 18.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.416 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -103.43 160.86 14.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -60.02 -31.63 70.13 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.031 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.7 m -56.89 -40.86 77.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.284 174.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 34.7 m-20 -64.14 -40.19 95.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.266 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.2 -39.61 84.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.033 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.492 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 1.7 t -67.21 -58.35 5.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.742 0.306 . . . . 0.0 110.483 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -31.03 67.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 68.4 mt -72.07 -24.37 61.5 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.72 63.45 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.437 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 1.8 pt -70.37 -32.97 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.16 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -59.54 -41.32 89.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.188 0.518 . . . . 0.0 109.695 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.69 -38.68 77.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -62.61 -41.83 99.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.291 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.5 mt -63.98 -54.06 40.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.444 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -41.09 78.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.81 -26.49 44.3 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 111.662 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -95.35 -4.6 45.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 0.0 111.074 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' HG2' ' B' ' 55' ' ' LYS . 16.3 t70 -97.74 113.44 25.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.689 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -85.07 5.19 30.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' B' ' 52' ' ' ASP . 2.4 mp0 -86.51 -27.15 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.526 ' HG2' ' OD1' ' B' ' 52' ' ' ASP . 42.6 mmtm -80.0 -55.91 4.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.755 175.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.81 -176.31 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 12.8 mmm180 59.7 68.49 1.49 Allowed Pre-proline 0 N--CA 1.464 0.254 0 C-N-CA 122.705 0.402 . . . . 0.0 111.719 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.85 -63.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.213 1.942 . . . . 0.0 111.373 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -155.8 -56.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.137 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.608 ' HD3' ' HG2' ' B' ' 19' ' ' GLN . 25.2 ttmm -95.43 79.89 3.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 3' ' ' ARG . 8.5 mp 60.21 -90.6 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.457 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -138.9 12.68 2.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.182 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m120 65.66 9.48 5.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.907 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.55 34.47 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.991 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD11 ' OE1' ' B' ' 19' ' ' GLN . 4.3 mp -127.43 153.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -100.16 126.61 46.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.239 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.818 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -125.67 166.6 16.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.682 -175.513 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.15 147.22 19.11 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.737 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' B' ' 37' ' ' SER . 11.6 t -133.15 164.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -175.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.9 m-85 -131.36 135.16 46.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.27 0.228 . . . . 0.0 110.668 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD21 ' B' ' 13' ' ' LEU . 4.5 pt -151.44 151.01 28.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.031 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 24.3 Cg_endo -64.42 172.82 6.03 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 123.237 2.625 . . . . 0.0 114.186 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.82 -36.38 76.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.215 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.8 mm-40 -55.19 -33.28 62.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 111.394 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.502 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.8 m95 -78.72 -50.76 10.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 38.9 m-70 -59.74 -36.64 77.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.229 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.49 -59.02 5.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.406 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.1 mpt_? -75.58 -42.97 50.69 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.658 -173.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.96 -50.97 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.002 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.724 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 88.7 mmm -66.94 -24.94 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.973 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.1 -46.73 82.94 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.535 0.683 . . . . 0.0 109.441 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -62.73 -37.3 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.79 -22.73 67.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.669 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 26' ' ' MET . 89.8 mttt -76.38 -45.53 31.41 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.23 -43.2 96.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.988 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -3.86 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -174.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 63.34 57.99 1.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.297 0.57 . . . . 0.0 111.292 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.4 mt -133.28 166.52 22.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.266 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 p -108.09 157.79 17.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 170.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -60.71 -23.92 65.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.234 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.021 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.8 m -59.93 -48.73 80.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.164 170.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.3 m-20 -64.43 -46.09 84.72 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.046 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.74 -31.79 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 3.0 t -69.46 -49.5 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.909 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -65.7 -31.61 72.71 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.276 -0.265 . . . . 0.0 111.301 173.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 94.2 mt -68.88 -25.52 64.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 109.666 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.83 -49.77 42.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.645 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.759 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 1.3 pt -68.29 -22.05 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.559 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 42' ' ' LEU . 85.6 tttt -58.0 -55.83 29.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.37 173.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.82 -24.25 58.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.25 0.548 . . . . 0.0 109.543 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 80.1 t80 -61.33 -43.0 99.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.207 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.7 mt -66.71 -54.04 27.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.623 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.09 -21.0 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.664 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -77.0 -59.99 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.404 -0.185 . . . . 0.0 111.149 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -93.59 -8.45 41.15 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.056 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.35 76.43 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.63 0.728 . . . . 0.0 109.37 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -79.56 -35.85 39.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.525 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -88.32 119.92 29.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.894 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 20.0 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.574 0.702 . . . . 0.0 109.706 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.645 -179.571 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.509 ' NH1' ' H ' ' B' ' 7' ' ' LEU . 9.2 mmm180 51.42 75.88 0.6 Allowed Pre-proline 0 N--CA 1.465 0.314 0 C-N-CA 122.563 0.345 . . . . 0.0 111.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.17 -59.77 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.391 2.061 . . . . 0.0 111.391 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -153.96 -27.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -144.99 111.16 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.407 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.509 ' H ' ' NH1' ' B' ' 3' ' ' ARG . 10.2 mp 57.02 -139.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.515 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.495 ' H ' ' HB3' ' B' ' 7' ' ' LEU . 63.7 mt -92.08 8.51 37.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.44 30.22 19.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.68 0.752 . . . . 0.0 110.324 -172.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -160.75 138.51 5.53 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.653 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 mp -119.0 148.04 22.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -172.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -99.61 123.6 44.03 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 110.596 -170.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.693 HD21 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -123.21 165.27 17.18 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.448 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.488 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -142.74 120.48 1.57 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.121 -1.037 . . . . 0.0 112.472 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 1.021 HG22 ' HA ' ' A' ' 37' ' ' SER . 39.3 t -105.12 155.96 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.39 122.8 26.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 13' ' ' LEU . 37.3 pt -142.11 152.12 60.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.721 0.296 . . . . 0.0 111.193 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.796 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 28.7 Cg_endo -62.96 163.46 22.29 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.848 3.032 . . . . 0.0 114.474 -174.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.654 ' OE1' HD11 ' A' ' 11' ' ' ILE . 40.9 tp60 -62.94 -42.84 99.94 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.283 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 6.6 mm-40 -50.86 -40.92 57.41 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.917 0.865 . . . . 0.0 110.766 177.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.796 ' HE3' ' HD2' ' B' ' 18' ' ' PRO . 3.7 t90 -80.19 -30.55 38.77 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.257 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 2.6 m-70 -66.59 -49.52 66.08 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.374 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.33 -48.54 68.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.739 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 9.9 mpt_? -74.01 -47.29 38.08 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.394 -176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.655 HD12 HG11 ' B' ' 39' ' ' VAL . 4.5 mm? -66.99 -40.18 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.478 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.569 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 94.8 mmm -65.41 -28.98 69.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.2 -45.8 91.74 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.684 0.754 . . . . 0.0 109.071 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.76 -37.14 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.906 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.44 -24.78 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.541 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' B' ' 26' ' ' MET . 89.1 mttt -76.83 -56.93 4.16 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.467 ' C ' ' HE2' ' B' ' 32' ' ' LYS . 6.2 mm-40 -61.62 -31.67 71.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.793 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.467 ' HE2' ' C ' ' B' ' 31' ' ' GLU . 1.0 OUTLIER -95.39 -4.73 44.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.36 37.97 19.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.107 0.479 . . . . 0.0 111.433 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.401 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -111.03 166.47 11.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.08 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 39' ' ' VAL . 40.0 p -104.89 158.09 16.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.818 HD12 HD13 ' A' ' 13' ' ' LEU . 2.2 pt? -56.58 -37.89 71.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.991 0.424 . . . . 0.0 110.054 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.51 ' HA ' HG22 ' A' ' 15' ' ' VAL . 7.3 m -55.2 -47.52 75.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.85 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.434 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 40.5 m-20 -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.339 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG11 HD12 ' B' ' 25' ' ' LEU . 61.8 t -61.68 -43.23 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.358 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.581 ' HA ' HG23 ' A' ' 44' ' ' ILE . 14.1 m -66.54 -54.57 22.24 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.091 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 6.4 ppt_? -62.13 -34.4 76.27 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.36 -31.9 72.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.509 0.671 . . . . 0.0 109.634 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.19 -20.96 60.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.707 176.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 59.4 mt -66.05 -45.3 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 87.6 tttt -59.67 -36.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.329 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -68.42 -41.15 80.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.391 0.615 . . . . 0.0 109.656 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -63.81 -42.59 97.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.998 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.8 mt -66.91 -44.47 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.471 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' B' ' 45' ' ' LYS . 9.9 t70 -55.97 -43.31 77.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.962 -173.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -76.96 -28.73 55.28 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' B' ' 48' ' ' LEU . 4.2 p80 -94.37 -24.83 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.829 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -141.99 102.02 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.153 0.501 . . . . 0.0 110.49 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -108.55 0.2 20.69 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.772 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -91.24 57.61 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.163 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -30.2 33.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp . . . . . 0 C--O 1.243 0.721 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 170.418 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 55.5 80.55 0.29 Allowed Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.997 0.519 . . . . 0.0 111.258 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.42 141.44 86.94 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.8 2.333 . . . . 0.0 112.177 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -84.33 137.53 33.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 54.65 74.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.038 0.923 . . . . 0.0 111.28 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -155.27 -56.96 0.1 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.332 -1.303 . . . . 0.0 108.87 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 tp -89.61 -8.59 52.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.525 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.58 52.6 13.53 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.243 -175.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.59 116.75 0.73 Allowed Glycine 0 N--CA 1.438 -1.222 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.881 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -106.12 153.45 7.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.77 ' HD3' ' CE1' ' B' ' 16' ' ' TYR . 26.9 tptp -98.63 123.61 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -171.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -131.22 165.46 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.027 178.188 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 119.48 2.05 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' B' ' 37' ' ' SER . 46.3 t -103.16 155.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.062 ' CD1' ' HD3' ' B' ' 12' ' ' LYS . 4.2 t80 -128.89 120.21 25.78 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.794 HG12 HD21 ' B' ' 13' ' ' LEU . 24.6 pt -138.63 153.48 72.38 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.628 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.892 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 32.3 Cg_exo -59.71 167.97 6.1 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.553 2.835 . . . . 0.0 114.466 -174.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 1.007 ' HA ' ' CD1' ' B' ' 11' ' ' ILE . 5.2 tp60 -68.92 -40.74 78.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.545 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.546 ' OE1' ' HB3' ' B' ' 9' ' ' ASN . 1.5 mp0 -53.06 -37.23 61.45 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.806 0.812 . . . . 0.0 109.823 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.807 ' CZ3' ' HG2' ' B' ' 41' ' ' ARG . 10.1 m0 -73.22 -58.48 3.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.187 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.857 ' CB ' HD13 ' B' ' 11' ' ' ILE . 8.7 t60 -51.9 -43.12 63.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.065 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.83 -55.46 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.67 -31.72 65.28 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 111.078 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 21' ' ' TRP . 4.0 mm? -66.77 -41.75 87.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 92.9 mmm -64.53 -30.19 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.18 -46.14 82.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.219 0.533 . . . . 0.0 109.854 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.69 -35.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.006 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.76 79.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.394 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' MET . 45.2 mttp -79.42 -43.27 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.061 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.74 -42.64 97.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.518 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -94.5 -3.81 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 62.65 51.63 3.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.761 0.791 . . . . 0.0 110.4 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.16 168.93 18.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.568 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.57 151.16 22.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.941 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -58.05 -28.13 64.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.668 0.27 . . . . 0.0 110.905 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.837 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.1 p -59.39 -47.42 85.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.084 0.468 . . . . 0.0 110.64 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.595 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 45.7 m-20 -63.75 -41.74 97.96 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.647 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.8 -37.49 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 3.5 t -67.75 -48.49 66.25 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 109.968 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.839 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 2.3 tmt_? -49.56 -50.62 41.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.581 0.752 . . . . 0.0 111.13 169.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.9 mt -67.31 -24.63 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.973 0.416 . . . . 0.0 110.732 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -69.3 -36.64 77.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.515 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.017 ' HB ' ' HZ2' ' B' ' 21' ' ' TRP . 19.7 mt -69.91 -34.9 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -46.69 84.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.335 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.59 -25.99 59.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.398 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.658 HD21 HD21 ' B' ' 25' ' ' LEU . 80.8 mt -68.83 -46.56 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.204 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 36.4 t70 -61.42 -29.8 70.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.045 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' OD1' ' OE2' ' B' ' 46' ' ' GLU . 4.2 t-20 -78.42 -30.4 47.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.109 0.481 . . . . 0.0 110.712 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -93.86 -62.45 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 110.768 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -98.15 65.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.437 0.637 . . . . 0.0 109.747 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 23.6 ttmm -84.54 -31.3 24.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.812 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -89.56 125.36 35.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.303 0.573 . . . . 0.0 110.808 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -109.5 7.61 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.653 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt . . . . . 0 C--O 1.25 1.099 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.104 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 58.62 80.79 0.27 Allowed Pre-proline 0 N--CA 1.464 0.265 0 C-N-CA 122.898 0.479 . . . . 0.0 110.955 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.597 ' HG2' HD22 ' B' ' 7' ' ' LEU . 16.5 Cg_exo -68.45 153.15 74.55 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.011 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -83.42 137.29 33.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.961 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 58.7 30.92 20.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.825 0.821 . . . . 0.0 111.402 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.597 HD22 ' HG2' ' B' ' 4' ' ' PRO . 57.9 tp -92.37 -60.11 1.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp -90.2 5.04 48.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.214 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.8 m-20 48.38 52.48 13.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.952 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.892 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -163.79 141.64 7.26 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 1.007 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 4.4 mp -129.05 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 1.062 ' HD3' ' CD1' ' A' ' 16' ' ' TYR . 17.2 tptp -100.92 134.7 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.941 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.36 140.06 47.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -176.363 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -102.95 116.1 5.37 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.058 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 37' ' ' SER . 23.2 t -107.78 162.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.77 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 3.2 m-85 -131.87 130.02 41.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.777 0.322 . . . . 0.0 110.754 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.529 HG12 HD22 ' A' ' 13' ' ' LEU . 39.5 pt -139.74 140.44 24.78 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -176.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.892 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 43.8 Cg_exo -59.53 161.07 18.4 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 123.869 3.046 . . . . 0.0 113.413 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -80.43 -33.24 37.04 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.94 -172.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 1.3 mp0 -59.21 -35.24 73.26 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 122.618 1.199 . . . . 0.0 109.35 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 1.017 ' HZ2' ' HB ' ' A' ' 44' ' ' ILE . 10.8 t90 -79.26 -25.57 42.53 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.516 -1.674 . . . . 0.0 108.397 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' B' ' 26' ' ' MET . 10.2 m80 -65.06 -44.46 88.9 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.312 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' B' ' 20' ' ' GLU . 16.7 m-20 -50.82 -57.8 7.52 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.068 0.461 . . . . 0.0 110.285 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' B' ' 24' ' ' ARG . 7.2 mpt_? -73.62 -52.3 13.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.687 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.74 HD12 HG11 ' B' ' 39' ' ' VAL . 3.5 mm? -67.92 -44.18 77.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.705 ' SD ' ' HB3' ' B' ' 36' ' ' LEU . 80.6 mmm -67.67 -25.59 65.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.887 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -65.7 -40.41 92.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.567 171.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.11 -37.85 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.645 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.92 -27.77 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.501 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 26' ' ' MET . 61.2 mttp -78.43 -44.19 25.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.126 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.36 -39.75 95.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.24 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -95.93 -3.17 45.72 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.6 49.11 2.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.361 0.6 . . . . 0.0 111.272 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.458 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 77.9 mt -124.53 166.1 16.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.221 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 39' ' ' VAL . 81.9 p -110.59 162.85 14.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 172.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.4 pt? -55.77 -38.15 69.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.916 0.388 . . . . 0.0 110.493 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.857 ' HA ' HG22 ' A' ' 15' ' ' VAL . 4.8 m -56.94 -47.32 80.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.472 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 68.8 m-20 -64.67 -43.59 93.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.609 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.74 HG11 HD12 ' B' ' 25' ' ' LEU . 69.7 t -63.61 -38.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.552 -176.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.05 -53.61 47.1 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.807 ' HG2' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -49.09 -50.23 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.281 171.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.0 mt -64.61 -27.93 69.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.315 0.578 . . . . 0.0 110.578 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.543 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -71.31 -32.99 69.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.104 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 28.2 mt -66.52 -38.55 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -56.52 -48.03 78.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' A' ' 50' ' ' ASN . 32.7 tt0 -72.98 -33.75 66.03 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.91 -43.32 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.048 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 76.0 mt -64.78 -41.42 95.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.982 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 13.4 t70 -62.0 -37.14 83.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.226 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.32 -31.71 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.131 -0.356 . . . . 0.0 111.263 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -90.33 -33.91 15.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.974 0.416 . . . . 0.0 110.803 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.12 82.84 1.88 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.412 0.625 . . . . 0.0 109.65 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 49' ' ' ASP . 25.2 ttmm -86.02 -39.17 17.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.771 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -92.3 138.39 31.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.632 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -110.91 48.44 0.92 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt . . . . . 0 C--O 1.247 0.928 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.875 -175.282 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 24.9 ptt180 -123.69 109.33 30.45 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 0.0 111.139 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 5.7 Cg_endo -87.11 108.96 0.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.358 2.705 . . . . 0.0 112.239 176.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 60.87 -79.84 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 173.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -86.22 -73.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 0.0 109.61 -172.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' HG ' ' N ' ' A' ' 8' ' ' LEU . 2.2 pt? -153.4 -55.66 0.12 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 82.8 mt -150.77 114.34 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.589 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -83.95 42.58 0.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.335 0.588 . . . . 0.0 110.13 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.16 103.33 0.21 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.1 mm -116.14 153.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -100.18 134.91 42.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 -170.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.818 ' HG ' ' HB ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -135.84 167.03 21.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.644 -179.381 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.83 126.09 2.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.29 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.065 HG22 ' HA ' ' B' ' 37' ' ' SER . 66.9 t -111.08 141.82 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.53 122.51 45.73 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.666 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 36' ' ' LEU . 25.9 pt -141.62 156.75 66.3 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.633 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 31.8 Cg_exo -60.44 169.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.218 2.612 . . . . 0.0 113.09 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' OE1' ' A' ' 20' ' ' GLU . 13.6 pt20 -76.43 -34.28 58.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.624 -177.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' HG2' ' A' ' 19' ' ' GLN . 1.7 mp0 -54.42 -32.74 58.04 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.825 173.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.921 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 4.0 m95 -77.19 -57.9 3.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.261 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.517 ' HA ' HD13 ' A' ' 36' ' ' LEU . 46.9 t-80 -50.19 -47.48 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.121 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 34.4 t70 -65.79 -52.6 49.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.467 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.3 mpt_? -72.3 -34.69 68.33 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 -174.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.05 -42.41 94.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 4.9 mmt -62.81 -41.27 99.23 Favored 'General case' 0 C--O 1.22 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 111.661 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 27.3 mm-40 -57.63 -52.86 63.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.007 0.432 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 67.5 mt -63.64 -43.7 98.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.209 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.52 -36.33 80.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.506 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' MET . 28.2 mtpp -76.64 -24.72 53.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 70.0 mt-10 -60.63 -46.0 91.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.055 0.455 . . . . 0.0 110.023 171.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' ILE . 1.3 mptp? -93.1 -2.38 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.232 -174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.1 t30 65.39 54.36 1.17 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.184 0.993 . . . . 0.0 110.615 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.6 mt -133.91 168.5 18.66 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.567 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -105.09 157.46 17.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.734 ' HG ' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -60.87 -27.4 68.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 109.957 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' B' ' 15' ' ' VAL . 29.2 t -55.56 -47.74 75.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.055 171.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.615 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 63.3 m-20 -63.79 -49.3 73.47 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.067 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -33.37 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.861 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.977 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 5.2 t -70.03 -55.68 8.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.638 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.91 -32.47 70.78 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 173.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -71.33 -23.89 62.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.591 -0.693 . . . . 0.0 109.796 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -69.99 -40.44 75.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.999 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 41' ' ' ARG . 15.5 pt -69.32 -31.17 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' ' HH2' ' B' ' 21' ' ' TRP . 66.7 tttm -59.89 -48.41 81.8 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.11 -28.53 62.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.277 0.561 . . . . 0.0 109.499 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -63.45 -46.2 87.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.707 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 76.9 mt -66.4 -39.58 89.1 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.035 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.66 -43.3 93.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.323 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -82.9 -40.55 20.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.611 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -90.03 -56.41 3.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 111.45 -176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -93.56 64.21 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -55.98 -73.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.314 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -89.28 120.39 30.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 110.841 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -94.68 73.46 3.66 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.254 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.17 -173.702 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.049 -0.42 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' B' ' 7' ' ' LEU . 37.8 ptt180 -149.64 114.88 3.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.508 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.26 135.17 20.2 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 112.588 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 62.92 -85.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.094 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -107.21 -64.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.528 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.89 ' HG ' ' H ' ' B' ' 8' ' ' LEU . 1.3 pt? -149.73 -71.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.89 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 96.5 mt -139.38 86.83 2.15 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -83.14 51.19 1.9 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.376 0.608 . . . . 0.0 110.369 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.24 107.43 0.3 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.65 139.09 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.673 0.273 . . . . 0.0 110.578 -169.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -102.27 127.45 49.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 -176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.734 HD13 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -128.58 145.86 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.31 179.375 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.9 124.37 8.19 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.104 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.818 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 17.5 t -109.41 155.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -135.44 124.41 24.2 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.666 HD12 ' HE3' ' B' ' 21' ' ' TRP . 22.3 pt -147.06 159.14 43.61 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 15.8 Cg_endo -56.86 158.71 16.18 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.437 2.758 . . . . 0.0 113.622 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.7 -35.97 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.182 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -57.07 -30.66 64.49 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.878 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.666 ' HE3' HD12 ' B' ' 17' ' ' ILE . 1.7 m0 -77.77 -47.23 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.319 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -56.43 -37.97 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.04 -57.93 10.66 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 3.0 mpt_? -76.07 -30.2 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 60.9 mt -63.24 -45.95 89.21 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.478 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 24.6 mmt -63.86 -37.97 89.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.14 -44.8 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.53 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' B' ' 32' ' ' LYS . 80.3 mt -64.77 -33.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.516 0.674 . . . . 0.0 110.108 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.12 -34.44 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' B' ' 26' ' ' MET . 24.9 mtpp -79.99 -39.37 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.85 -53.68 46.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.946 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' B' ' 28' ' ' ILE . 49.3 mttp -95.56 -0.9 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.148 -165.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.8 t30 69.07 55.02 0.43 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.063 0.935 . . . . 0.0 110.208 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.3 mt -135.59 166.35 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.743 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.502 ' O ' HG23 ' B' ' 39' ' ' VAL . 45.0 p -118.13 160.69 21.11 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 168.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.23 -30.83 68.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.159 0.504 . . . . 0.0 110.051 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . 1.065 ' HA ' HG22 ' A' ' 15' ' ' VAL . 8.2 t -60.98 -50.48 73.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.026 173.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' B' ' 35' ' ' THR . 19.0 m-20 -61.6 -42.01 98.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.792 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 35' ' ' THR . 77.5 t -62.35 -38.6 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.734 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.977 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 88.0 m -63.31 -63.64 1.13 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.629 0.252 . . . . 0.0 111.173 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.921 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -54.85 -42.4 71.93 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.316 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.494 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 42.1 mt -65.13 -35.33 80.78 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.721 -0.612 . . . . 0.0 110.322 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 47' ' ' TYR . . . -72.25 -21.94 61.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.993 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 20.1 mt -69.88 -39.68 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -39.54 84.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.316 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 109.452 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' B' ' 43' ' ' ALA . 22.4 t80 -62.03 -44.88 95.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.735 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.5 mt -66.9 -43.01 84.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.541 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -45.01 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -81.75 -12.99 58.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.21 -64.34 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.698 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -142.51 120.08 11.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.692 0.758 . . . . 0.0 109.56 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -78.87 -16.28 57.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.364 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -150.2 138.23 20.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.573 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -111.69 102.53 10.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.871 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp . . . . . 0 C--O 1.25 1.086 0 O-C-N 124.008 0.818 . . . . 0.0 110.928 -177.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -136.64 107.57 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.486 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.46 -41.27 12.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.981 2.454 . . . . 0.0 112.291 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -147.75 -71.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -140.46 21.35 2.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.715 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.833 ' HG ' ' HG ' ' A' ' 8' ' ' LEU . 42.3 tp 72.41 134.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.148 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.833 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 87.1 mt 65.09 82.56 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.131 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -81.75 -17.13 48.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.038 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.44 140.21 6.49 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.634 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.664 HD11 ' HB3' ' A' ' 8' ' ' LEU . 22.6 mm -121.23 159.45 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -176.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.99 129.7 45.3 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.174 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -131.65 128.22 38.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.417 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' OG ' ' B' ' 37' ' ' SER . . . -104.4 121.89 7.15 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.902 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.13 HG22 ' HA ' ' B' ' 37' ' ' SER . 56.9 t -108.2 145.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.75 118.04 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.526 0.203 . . . . 0.0 110.781 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.775 HD12 ' HE3' ' A' ' 21' ' ' TRP . 16.7 pt -140.06 161.59 54.87 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.664 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 39.1 Cg_endo -65.92 153.64 77.29 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.946 2.431 . . . . 0.0 112.933 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -65.76 -27.74 68.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.028 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -53.88 -40.28 66.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.617 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.775 ' HE3' HD12 ' A' ' 17' ' ' ILE . 9.9 m0 -73.77 -40.6 63.34 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.445 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.861 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -56.17 -45.0 79.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.242 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.53 -53.49 56.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.895 0.379 . . . . 0.0 111.222 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.6 mpt_? -74.98 -38.91 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.217 -173.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.9 -44.91 88.05 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.838 -0.165 . . . . 0.0 110.876 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 95.4 mmm -67.75 -25.95 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.17 -48.47 73.37 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.72 -29.79 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.006 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -29.34 70.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.948 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.78 -38.43 54.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.028 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -44.9 96.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.961 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -96.01 -4.67 42.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.21 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 59.42 45.88 13.13 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.468 0.652 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.597 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.9 mt -133.85 169.14 17.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.786 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -103.61 159.55 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.788 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD1' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -58.69 -36.27 73.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.736 0.303 . . . . 0.0 110.534 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.77 ' HB3' HG22 ' B' ' 15' ' ' VAL . 13.8 m -56.29 -43.89 79.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.596 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.614 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 47.2 m-20 -63.88 -40.91 97.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.987 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -39.03 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.336 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 31.1 m -70.73 -53.61 14.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.806 ' HG2' ' CG1' ' B' ' 15' ' ' VAL . 7.3 ppt_? -57.17 -37.21 71.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.121 -0.362 . . . . 0.0 111.508 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.85 -31.13 71.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 110.065 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.76 62.43 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.871 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 73.0 mt -66.23 -43.7 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.29 -37.28 77.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.154 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' OE1' ' NE2' ' B' ' 51' ' ' HIS . 8.6 tp10 -68.66 -42.49 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.39 177.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -62.54 -48.67 78.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.636 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 48.8 mt -67.35 -58.09 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.368 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.04 -31.69 73.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.493 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -77.13 -45.25 27.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.0 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' B' ' 46' ' ' GLU . 51.7 m-70 -92.99 -4.74 52.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.484 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.9 t70 66.1 151.88 0.06 Allowed 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.945 0.778 . . . . 0.0 112.946 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.21 -62.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.687 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -99.22 130.85 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.459 172.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.54 84.35 6.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.821 -167.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 112.222 -0.351 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.499 ' HG3' ' H ' ' B' ' 7' ' ' LEU . 29.1 ttp180 -141.43 79.97 16.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 122.679 -0.306 . . . . 0.0 110.346 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.03 -64.56 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.442 2.095 . . . . 0.0 111.573 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.84 -80.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -150.1 80.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.505 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.499 ' H ' ' HG3' ' B' ' 3' ' ' ARG . 9.1 mp 61.91 57.92 2.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.34 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.5 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 88.8 mt 69.83 143.49 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.548 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 32.5 p30 -90.89 -3.52 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.127 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.16 140.33 6.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.697 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.861 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 16.9 mm -125.72 155.89 35.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -99.74 131.97 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.136 0.493 . . . . 0.0 110.688 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -133.93 161.73 33.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.465 178.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -144.26 146.26 16.61 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.32 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.806 ' CG1' ' HG2' ' A' ' 41' ' ' ARG . 3.2 t -130.4 165.93 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.401 ' N ' HG12 ' B' ' 15' ' ' VAL . 16.1 m-85 -127.02 121.9 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 171.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' B' ' 21' ' ' TRP . 24.2 pt -138.17 152.26 71.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.867 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.1 157.81 19.74 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.508 2.805 . . . . 0.0 113.235 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.41 -22.6 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.036 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.672 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 24.9 mm-40 -55.19 -39.9 70.11 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.636 0.731 . . . . 0.0 109.599 173.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.46 ' CH2' ' O ' ' A' ' 41' ' ' ARG . 11.4 m0 -74.41 -50.53 18.14 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.004 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.656 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 24.3 m-70 -55.95 -50.21 71.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.503 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.14 -50.89 72.31 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.967 0.413 . . . . 0.0 111.748 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.672 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.5 mpt_? -73.13 -36.87 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.722 -174.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.17 -34.0 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.266 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 80.4 mmm -60.95 -40.95 95.23 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.549 0.214 . . . . 0.0 110.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.5 tt0 -64.38 -44.65 90.67 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.511 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.16 -35.06 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.516 0.674 . . . . 0.0 109.814 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.2 -32.32 72.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.879 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 26' ' ' MET . 91.8 mttt -81.36 -33.57 32.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.361 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 48.9 mt-10 -61.6 -53.66 53.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.603 178.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.55 -2.03 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.76 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 65.17 54.41 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.48 0.657 . . . . 0.0 111.018 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.3 mt -134.21 167.83 19.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.417 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.3 p -108.28 165.82 11.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.062 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.595 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 2.0 pt? -56.99 -35.71 69.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . 1.13 ' HA ' HG22 ' A' ' 15' ' ' VAL . 13.6 m -58.98 -47.34 85.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.582 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.2 m-20 -62.99 -49.07 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.454 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 35' ' ' THR . 94.6 t -61.76 -36.54 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.133 -176.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -64.67 -53.53 46.05 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.718 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 2.7 ppt_? -67.63 -35.53 79.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 95.1 mt -69.62 -23.95 63.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.451 0.643 . . . . 0.0 109.877 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.81 -39.07 66.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.01 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.693 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 21.0 pt -70.22 -28.59 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.225 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.08 -40.75 86.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.391 0.615 . . . . 0.0 109.634 172.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 51' ' ' HIS . 18.2 tp10 -71.36 -38.56 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.715 176.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -63.71 -41.44 98.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.184 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 80.4 mt -66.99 -38.64 86.39 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.694 0.283 . . . . 0.0 111.746 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.53 -40.12 43.73 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.5 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 45.6 m-70 -89.54 -64.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 64.75 141.22 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -140.43 24.63 2.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.214 167.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.29 58.43 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.126 -176.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -80.43 77.2 7.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.262 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.883 174.486 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' HD3' ' HD2' ' A' ' 4' ' ' PRO . 18.7 tpp180 -126.79 113.67 22.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' HD2' ' HD3' ' A' ' 3' ' ' ARG . 18.2 Cg_exo -66.45 115.61 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.54 2.16 . . . . 0.0 111.196 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -81.23 -2.4 48.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.074 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.98 29.03 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.803 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt 68.3 0.37 2.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.778 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.44 103.55 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.92 -18.61 23.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.46 146.47 12.92 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.898 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 32.9 mm -124.67 157.54 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -170.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.24 125.71 44.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.238 0.542 . . . . 0.0 110.895 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.58 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -132.8 166.41 22.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.898 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.27 131.36 4.83 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.019 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' B' ' 41' ' ' ARG . 14.2 t -108.75 159.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 117.68 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.775 HG22 ' HG3' ' B' ' 41' ' ' ARG . 23.4 pt -138.7 163.71 44.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.104 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' CD ' ' HB ' ' A' ' 17' ' ' ILE . 33.4 Cg_exo -60.84 150.16 84.62 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.113 2.542 . . . . 0.0 112.959 -176.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.79 -32.28 67.39 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.977 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 7.8 mm-40 -55.72 -41.99 74.67 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.362 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.77 ' HE3' HD12 ' A' ' 17' ' ' ILE . 45.0 m0 -76.25 -49.75 16.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.71 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 11.8 t-80 -53.81 -39.26 65.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.792 0.683 . . . . 0.0 110.643 -177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.93 -52.4 63.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.401 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 8.6 mpt_? -74.73 -27.97 60.58 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' A' ' 36' ' ' LEU . 77.4 mt -63.97 -41.3 97.58 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.2 mmt -62.23 -39.41 92.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.99 -46.72 83.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.04 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.62 -36.65 76.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.154 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.86 -26.55 68.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.0 mttm -79.36 -48.29 14.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.253 0.549 . . . . 0.0 109.825 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -41.68 97.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.565 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -94.94 -9.04 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.15 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 61.39 36.43 17.4 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.268 0.556 . . . . 0.0 111.653 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.0 mt -109.26 165.93 11.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 39' ' ' VAL . 68.2 p -106.17 159.44 16.09 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 25' ' ' LEU . 19.2 mt -60.61 -32.47 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.098 0.475 . . . . 0.0 110.314 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.969 ' HA ' HG22 ' B' ' 15' ' ' VAL . 2.9 m -56.87 -46.93 81.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 62.7 m-20 -63.71 -42.77 97.9 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.328 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 35' ' ' THR . 66.7 t -61.44 -47.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.879 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.614 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 0.6 OUTLIER -67.63 -50.27 58.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.702 -176.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.934 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.9 tmm_? -49.01 -54.19 16.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.109 0.563 . . . . 0.0 111.825 170.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -65.46 -21.62 66.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.048 0.452 . . . . 0.0 110.397 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.36 -35.33 71.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 14.2 mt -67.8 -34.95 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.11 -42.76 81.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.269 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' LEU . 9.9 mm-40 -70.02 -36.47 75.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.602 0.715 . . . . 0.0 109.602 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.39 -46.96 84.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.446 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 85.4 mt -63.96 -46.88 82.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.672 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.83 -42.57 99.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.747 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -79.41 -27.66 41.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -95.72 -4.8 43.46 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 61.85 -77.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.927 0.767 . . . . 0.0 112.445 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.0 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -146.36 140.09 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.095 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 21.9 pttp -99.21 31.47 3.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.231 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 55' ' ' LYS . 21.1 tttm . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.847 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.461 ' HD3' ' HD2' ' B' ' 4' ' ' PRO . 11.3 tpp180 -151.01 111.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.722 0.296 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.934 ' HA ' ' HB3' ' B' ' 9' ' ' ASN . 51.4 Cg_endo -71.53 106.4 1.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 111.44 173.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -78.95 -59.0 2.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -95.65 29.24 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.522 ' HA ' ' HB2' ' B' ' 4' ' ' PRO . 85.0 mt 69.5 -42.78 0.51 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.377 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.02 78.0 7.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.934 ' HB3' ' HA ' ' B' ' 4' ' ' PRO . 3.4 p-10 -84.15 -5.24 59.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.679 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.53 141.12 7.4 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.71 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 4.7 mm -120.29 163.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -171.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -99.37 143.07 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.734 -173.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.49 HD23 ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -141.77 119.75 12.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.926 175.672 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.453 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -102.35 116.96 5.66 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.41 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.969 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -105.32 149.6 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.569 0.223 . . . . 0.0 110.636 -175.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.12 129.04 55.48 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 169.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.592 HD12 ' HE3' ' B' ' 21' ' ' TRP . 29.9 pt -137.89 147.31 56.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.756 0.313 . . . . 0.0 110.615 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.7 Cg_exo -63.53 169.98 8.96 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.796 2.997 . . . . 0.0 114.238 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -66.94 -38.69 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.813 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.69 -29.55 59.57 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.474 0.654 . . . . 0.0 110.707 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.934 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 6.3 m0 -76.5 -48.88 18.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.814 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' B' ' 26' ' ' MET . 28.7 m-70 -58.38 -35.97 72.8 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.16 -63.89 1.1 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.196 0.522 . . . . 0.0 111.323 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -75.55 -39.08 58.72 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.574 -0.45 . . . . 0.0 112.187 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.6 mt -66.02 -39.25 90.07 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.722 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.7 mmt -64.88 -33.63 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.43 -44.09 95.55 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.837 174.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.75 -37.03 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.907 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -60.49 -40.05 89.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.209 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -79.52 -38.5 34.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 0.0 110.214 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.88 -44.33 90.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.445 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -95.57 -1.91 49.49 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 68.59 53.32 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.416 0.627 . . . . 0.0 110.958 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.475 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.9 mt -136.62 167.44 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.033 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 30.8 p -111.51 165.39 12.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 13' ' ' LEU . 2.7 pt? -58.38 -43.95 88.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.929 0.331 . . . . 0.0 110.471 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 15' ' ' VAL . 19.6 m -60.17 -42.62 95.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HB2' ' H ' ' B' ' 35' ' ' THR . 4.6 m-20 -63.65 -42.21 98.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 35' ' ' THR . 86.4 t -63.98 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.654 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.614 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 2.7 t -64.81 -50.19 67.7 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.396 0.617 . . . . 0.0 109.764 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.775 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -53.88 -44.19 70.24 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.297 171.512 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.7 mt -67.25 -24.57 65.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.464 0.65 . . . . 0.0 110.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -73.8 -35.16 64.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.384 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 41' ' ' ARG . 33.1 pt -71.55 -29.78 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.848 177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -59.15 -44.67 92.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.543 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.11 -28.89 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.105 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.529 ' O ' ' HB2' ' B' ' 51' ' ' HIS . 57.3 t80 -63.3 -45.49 91.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.573 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 65.4 mt -65.87 -49.7 67.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.646 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.0 -46.18 91.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.93 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.79 -27.26 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 47' ' ' TYR . 5.9 m-70 -89.39 -5.19 57.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.313 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 64.18 -76.66 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.054 0.846 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 70.2 tttt 175.46 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.659 0.742 . . . . 0.0 109.719 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -121.46 166.84 13.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.014 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' B' ' 56' ' ' LYS . 17.2 pttp -132.84 40.78 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.015 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' B' ' 55' ' ' LYS . 33.7 tttm . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.747 -168.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 112.269 -0.333 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 63.93 105.23 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 123.056 0.542 . . . . 0.0 111.304 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 7' ' ' LEU . 20.9 Cg_exo -66.27 88.85 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.322 2.681 . . . . 0.0 112.231 178.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' HD2' HD21 ' A' ' 9' ' ' ASN . 52.7 m-85 63.34 -80.17 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.741 0.817 . . . . 0.0 111.483 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -106.49 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.183 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' HD2' ' A' ' 4' ' ' PRO . 45.6 tp -144.77 -73.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.134 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 98.4 mt -139.7 15.02 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.408 HD21 ' HD2' ' A' ' 5' ' ' TYR . 94.4 m-20 58.67 66.46 1.07 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.562 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.19 128.09 1.86 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 28.5 mm -114.75 142.46 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.598 -170.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 50.1 tptt -101.07 121.37 41.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.829 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' ' HA2' ' B' ' 14' ' ' GLY . 0.2 OUTLIER -120.19 132.74 55.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.353 -179.028 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.05 135.73 12.47 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.966 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.2 t -125.77 165.62 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.18 121.76 21.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 110.687 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.63 HD12 ' HE3' ' A' ' 21' ' ' TRP . 25.3 pt -142.68 153.58 61.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.255 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 42.5 Cg_exo -56.93 151.73 47.58 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.027 2.484 . . . . 0.0 113.047 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -56.21 -46.27 79.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -59.07 -26.34 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.645 0.26 . . . . 0.0 111.694 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.675 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 0.1 OUTLIER -83.46 -44.04 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.636 ' CE1' HD22 ' B' ' 13' ' ' LEU . 0.1 OUTLIER -51.53 -51.66 53.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.459 0.647 . . . . 0.0 110.435 171.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 34.2 t70 -62.06 -42.99 99.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.119 -173.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 5.7 mpt_? -76.38 -27.11 56.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.932 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 21' ' ' TRP . 70.9 mt -64.03 -41.88 97.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 90.5 mmm -63.69 -34.51 78.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.792 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.7 mt-10 -63.14 -50.65 69.59 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 109.886 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.65 -35.09 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.051 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.21 -29.28 70.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.466 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 26' ' ' MET . 51.9 mtmt -80.11 -36.63 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.417 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.12 -48.47 78.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.494 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -91.69 -4.27 55.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.055 -170.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 61.75 52.03 3.67 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.534 0.683 . . . . 0.0 110.741 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.5 mt -134.91 168.56 18.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.267 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -104.99 164.74 11.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 37' ' ' SER . 4.0 pp -59.55 -34.36 72.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.613 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.86 ' HA ' HG22 ' B' ' 15' ' ' VAL . 16.8 m -58.68 -41.21 85.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.328 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.2 -45.4 84.94 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.365 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.57 -35.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.65 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 2.0 t -68.66 -55.77 10.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.02 -37.11 73.69 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.914 -0.491 . . . . 0.0 111.804 173.532 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 69.8 mt -67.29 -23.71 65.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.461 0.648 . . . . 0.0 109.41 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.95 -43.5 62.23 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.174 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.2 pt -69.22 -30.06 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.729 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.31 -41.08 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 109.875 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.66 -35.26 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.292 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.85 -45.6 93.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.094 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 84.5 mt -65.48 -50.8 63.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.47 -30.24 71.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.81 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -75.73 -33.1 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.831 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -88.58 -28.46 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.914 0.387 . . . . 0.0 110.697 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.8 79.09 2.64 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -85.15 -37.79 19.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.76 -175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 67.54 179.08 0.23 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.511 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -136.56 23.37 3.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.503 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm . . . . . 0 C--O 1.246 0.89 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.688 -172.581 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 61.07 85.28 0.18 Allowed Pre-proline 0 N--CA 1.465 0.324 0 O-C-N 123.784 0.343 . . . . 0.0 110.719 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.552 ' HG2' ' HA ' ' B' ' 8' ' ' LEU . 20.8 Cg_endo -63.24 92.45 0.15 Allowed 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 122.854 2.37 . . . . 0.0 112.751 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 58.8 -96.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.502 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -100.98 -39.48 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 tp -148.03 -89.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.365 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.552 ' HA ' ' HG2' ' B' ' 4' ' ' PRO . 98.1 mt -142.36 46.09 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 m120 58.94 29.52 19.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.624 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.98 147.69 13.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.928 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.407 HG22 ' N ' ' B' ' 12' ' ' LYS . 31.2 mm -123.89 161.66 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.407 ' N ' HG22 ' B' ' 11' ' ' ILE . 48.1 tptt -98.99 138.49 36.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.636 HD22 ' CE1' ' A' ' 22' ' ' HIS . 1.3 pt? -142.24 163.86 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.736 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -150.31 126.15 2.1 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.007 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -109.03 153.18 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.468 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 m-85 -114.22 124.92 53.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.386 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.653 HD12 ' HE3' ' B' ' 21' ' ' TRP . 23.9 pt -136.09 157.89 74.84 Favored Pre-proline 0 C--O 1.236 0.368 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.455 176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.41 177.78 3.65 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.74 2.96 . . . . 0.0 115.347 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' B' ' 20' ' ' GLU . 15.2 pt20 -61.02 -60.11 4.3 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.522 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.577 ' H ' ' HG3' ' B' ' 19' ' ' GLN . 22.4 mm-40 -59.53 -18.58 41.65 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.927 0.394 . . . . 0.0 111.96 -174.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.653 ' HE3' HD12 ' B' ' 17' ' ' ILE . 10.3 m0 -78.77 -57.22 3.87 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' B' ' 26' ' ' MET . 44.0 t60 -56.08 -43.12 77.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.508 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.32 -54.86 38.43 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.697 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mmt-85 -72.02 -35.6 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.278 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 -32.58 73.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.216 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 72.3 mmm -62.62 -41.1 98.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.985 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.8 mt-10 -61.95 -49.94 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.154 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.09 -31.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.464 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.275 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -79.52 -30.16 41.77 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.427 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 86.6 mt-10 -63.05 -49.1 75.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.815 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 10.9 mptt -95.42 -2.65 48.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.03 -174.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 66.08 46.4 2.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.388 0.613 . . . . 0.0 111.339 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -131.41 166.76 20.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.172 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 39' ' ' VAL . 73.3 p -104.63 160.15 15.19 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.868 173.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.7 pt? -58.45 -35.07 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.101 0.477 . . . . 0.0 110.065 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 15' ' ' VAL . 18.4 m -56.89 -44.82 82.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.526 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 69.4 m-20 -66.07 -48.67 70.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.383 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 35' ' ' THR . 58.9 t -59.56 -37.28 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.915 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.571 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.4 t -66.38 -59.03 4.06 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.704 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.675 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 17.6 ptt180 -59.66 -37.68 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 91.8 mt -68.8 -25.47 64.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.038 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -24.35 59.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.514 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.571 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 51.2 mt -67.83 -38.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 42' ' ' LEU . 59.4 tptt -57.96 -41.88 83.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.867 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.95 -36.53 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 109.508 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.9 -47.8 81.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.097 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.3 mt -66.34 -46.09 78.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.3 -50.13 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.886 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.49 -14.12 57.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -89.07 -38.4 14.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.541 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -91.82 79.63 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -76.58 -22.92 53.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.753 -171.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 61.98 -171.27 0.16 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.797 0.685 . . . . 0.0 110.669 -176.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' B' ' 55' ' ' LYS . 29.6 mtpp -126.7 31.87 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' B' ' 56' ' ' LYS . 6.8 ptmm? . . . . . 0 C--O 1.25 1.123 0 O-C-N 124.733 1.271 . . . . 0.0 111.486 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 63.63 77.47 0.31 Allowed Pre-proline 0 N--CA 1.467 0.375 0 C-N-CA 122.743 0.417 . . . . 0.0 110.86 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG3' ' OD1' ' A' ' 9' ' ' ASN . 55.7 Cg_endo -70.04 -27.76 24.75 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.933 2.422 . . . . 0.0 113.203 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -141.06 -68.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.508 0.671 . . . . 0.0 109.277 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -147.74 -53.97 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.179 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.79 175.52 5.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -91.02 70.28 6.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.731 0.3 . . . . 0.0 111.175 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' OD1' ' HG3' ' A' ' 4' ' ' PRO . 18.6 m120 55.95 25.11 8.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.959 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.39 142.41 7.83 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 mm -127.25 147.5 32.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -100.87 121.37 41.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.206 0.527 . . . . 0.0 110.17 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -125.31 164.15 20.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.9 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.593 ' HA3' ' HZ1' ' B' ' 12' ' ' LYS . . . -145.61 136.28 6.37 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.424 -175.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.6 165.54 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.699 ' HA ' ' O ' ' B' ' 11' ' ' ILE . 4.6 m-85 -128.04 110.68 12.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.95 0.405 . . . . 0.0 110.309 171.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD22 ' B' ' 13' ' ' LEU . 32.1 pt -121.71 147.12 47.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.444 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.37 174.62 8.9 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.799 2.333 . . . . 0.0 113.823 -173.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 1.6 tp-100 -50.51 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.399 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 33.4 mt-10 -49.34 -26.6 3.24 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -81.24 -53.36 6.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -176.408 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.36 -42.14 98.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.88 -52.78 61.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.452 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -73.5 -35.22 65.6 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.624 -175.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 25' ' ' LEU . 21.9 mt -64.11 -48.19 77.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.349 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.602 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 86.5 mmm -64.49 -30.6 71.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -66.18 -50.81 62.61 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.242 0.544 . . . . 0.0 110.088 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.63 -34.47 65.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.411 0.624 . . . . 0.0 109.441 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.37 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.642 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 26' ' ' MET . 55.8 mttp -77.22 -49.71 14.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -35.96 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.254 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -91.58 -10.97 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.667 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 57.0 51.35 10.68 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.787 0.803 . . . . 0.0 109.901 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.0 mt -130.09 167.22 18.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.186 -178.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 p -104.22 155.18 18.94 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -61.79 -24.66 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.032 ' HA ' HG22 ' B' ' 15' ' ' VAL . 23.0 m -60.41 -47.34 86.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.967 169.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 31.6 m-20 -61.71 -50.34 72.83 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.57 -32.5 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.056 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' B' ' 40' ' ' CYS . 2.2 t -70.46 -54.09 13.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.966 0.413 . . . . 0.0 111.274 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.956 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.1 OUTLIER -66.21 -31.91 73.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.108 -0.37 . . . . 0.0 111.87 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.7 mt -73.5 -18.45 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.75 -46.58 58.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.271 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' B' ' 40' ' ' CYS . 5.2 pt -69.4 -29.32 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.074 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 12.8 tmtt? -60.17 -44.82 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 172.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -68.73 -33.86 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.34 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -62.68 -46.7 86.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.679 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 79.8 mt -66.67 -44.93 80.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.86 -39.96 86.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.479 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -77.89 -16.92 57.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.619 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -92.23 -22.72 19.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.226 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -92.49 52.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.005 0.907 . . . . 0.0 110.021 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -82.25 -61.25 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 68.28 153.68 0.1 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.775 0.798 . . . . 0.0 112.833 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -120.9 99.69 6.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.785 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.602 -177.645 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -108.4 116.43 56.46 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.563 0.22 . . . . 0.0 110.655 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.5 -28.1 45.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.668 2.245 . . . . 0.0 111.374 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -145.31 -69.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.898 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.432 ' HG3' HD22 ' B' ' 7' ' ' LEU . 38.3 pttt -150.46 -51.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.831 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' B' ' 6' ' ' LYS . 3.4 mm? -90.89 152.27 20.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -90.49 77.94 6.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.855 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.07 33.2 22.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.171 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.21 119.64 0.89 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.092 -1.052 . . . . 0.0 112.602 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.699 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 24.2 mm -108.84 151.65 11.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.669 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 56.0 tptt -100.39 126.05 46.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.541 0.686 . . . . 0.0 111.156 -172.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -133.13 159.85 38.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.772 178.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 119.01 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.034 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 1.032 HG22 ' HA ' ' A' ' 37' ' ' SER . 25.0 t -108.13 145.17 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.48 0.181 . . . . 0.0 110.955 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.27 126.0 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.423 171.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.955 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 18.6 pt -140.77 155.91 69.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.775 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.27 156.83 23.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.564 2.843 . . . . 0.0 113.93 -177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.19 -35.71 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.369 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' B' ' 20' ' ' GLU . 1.7 mp0 -54.12 -34.88 61.42 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.749 0.785 . . . . 0.0 110.149 177.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.956 ' HZ3' ' HB2' ' A' ' 41' ' ' ARG . 38.3 m0 -76.74 -45.13 30.37 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.245 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.521 ' O ' ' HG2' ' B' ' 26' ' ' MET . 0.1 OUTLIER -56.15 -44.56 79.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 178.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.89 -51.24 66.6 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -73.15 -39.67 65.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.709 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 44' ' ' ILE . 71.3 mt -66.19 -48.12 71.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 89.6 mmm -65.58 -25.51 67.44 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.039 0.447 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 5.0 tp10 -64.73 -49.84 69.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.93 -29.58 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.102 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.03 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 26' ' ' MET . 38.5 mttp -78.99 -40.01 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 28.8 mm-40 -60.64 -59.11 5.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.778 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -95.71 -2.44 47.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 66.0 t30 65.89 55.18 0.97 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.679 0.752 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.45 166.17 15.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.438 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.447 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.5 p -105.67 160.75 14.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 1.9 pt? -55.0 -42.56 72.67 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -43.2 91.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.503 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.426 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 22.0 m-20 -63.25 -46.56 86.32 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.731 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.725 HG11 HD22 ' B' ' 25' ' ' LEU . 58.0 t -60.56 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 123.197 0.311 . . . . 0.0 111.493 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.88 ' HA ' HG23 ' A' ' 44' ' ' ILE . 17.6 m -65.91 -55.76 15.26 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.144 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.773 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 5.8 ppt_? -61.43 -30.71 70.74 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.73 -31.97 72.96 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.728 -0.607 . . . . 0.0 110.077 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -75.64 -21.47 57.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.657 176.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.488 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 53.9 mt -68.37 -39.29 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' B' ' 45' ' ' LYS . 13.2 tmtt? -56.33 -48.16 77.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.255 174.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -26.88 63.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.918 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -63.6 -49.96 71.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.3 mt -66.29 -45.08 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.912 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.97 -43.17 95.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.638 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.11 -22.34 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.548 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -89.33 -37.08 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.624 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -105.27 66.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.514 0.673 . . . . 0.0 109.956 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -89.94 -42.23 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 68.45 125.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.406 0.682 . . . . 0.0 112.113 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -82.45 86.12 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.891 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.141 -177.861 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.37 136.61 19.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.92 167.85 2.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 110.837 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.21 -32.5 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.978 -168.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 8' ' ' LEU . 12.3 pttm -99.76 18.81 17.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.535 171.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.96 -29.33 0.17 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.027 0.931 . . . . 0.0 112.874 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 6' ' ' LYS . 44.4 tp -86.55 130.57 34.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 25.2 t-20 -83.02 -24.14 32.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.025 -172.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.04 166.01 32.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 119.401 -1.38 . . . . 0.0 113.559 -171.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mm -110.98 158.34 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' B' ' 16' ' ' TYR . 23.3 tptm -100.11 123.4 44.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.525 . . . . 0.0 110.777 -175.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.6 OUTLIER -131.61 139.22 49.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.107 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.83 115.6 5.13 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.492 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.3 t -104.56 134.44 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.708 0.29 . . . . 0.0 110.256 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -107.43 119.63 39.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 175.47 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.873 HD12 ' HE3' ' A' ' 21' ' ' TRP . 1.8 pt -136.41 149.73 68.51 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.381 178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.858 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 72.5 Cg_exo -52.1 144.93 35.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.42 2.747 . . . . 0.0 112.968 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.931 ' OE1' ' HD3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -68.07 -24.29 65.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.435 -178.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.604 ' OE2' ' ND2' ' B' ' 9' ' ' ASN . 18.4 mt-10 -55.43 -36.57 66.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.688 0.756 . . . . 0.0 109.891 173.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.934 ' HZ3' ' HB2' ' B' ' 41' ' ' ARG . 45.0 m0 -77.98 -35.69 49.83 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.288 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.885 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 18.3 m-70 -59.49 -45.45 91.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.656 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.67 -53.12 61.34 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 111.187 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -71.2 -45.8 62.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 HD12 ' B' ' 44' ' ' ILE . 78.2 mt -67.64 -37.86 83.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.549 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.4 mmm -64.36 -31.18 72.28 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.492 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 27' ' ' GLU . 1.3 tp10 -65.79 -43.92 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.425 0.631 . . . . 0.0 109.728 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.28 -36.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.877 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.37 -29.14 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.694 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 26' ' ' MET . 52.1 mttp -79.2 -32.92 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.57 -42.74 98.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.044 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.29 -7.27 39.25 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.22 57.27 2.99 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.956 0.884 . . . . 0.0 109.686 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 74.8 mt -138.73 168.48 19.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.955 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -103.5 144.3 31.59 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.493 HD13 HD13 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -59.13 -18.38 35.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.573 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 p -62.76 -49.23 75.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.413 171.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 15.4 t70 -66.77 -39.67 87.93 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.265 0.555 . . . . 0.0 109.875 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.38 -31.64 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.746 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.635 ' CB ' ' HG ' ' B' ' 40' ' ' CYS . 4.3 t -69.6 -48.42 60.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 5.1 ppt_? -62.73 -34.72 77.78 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.906 -0.497 . . . . 0.0 110.62 172.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 75.5 mt -64.3 -28.55 69.79 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.615 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.07 -30.47 65.16 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.837 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 32.1 mt -67.69 -42.0 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -58.3 -38.67 77.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.395 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.52 -36.82 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.426 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.449 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 83.0 mt -66.02 -49.54 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.35 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.85 -29.04 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.4 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.53 ' C ' HD21 ' A' ' 50' ' ' ASN . 0.2 OUTLIER -81.86 -44.73 16.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.135 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -88.21 -26.94 22.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -171.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -102.14 130.19 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -106.71 -47.02 3.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -157.12 32.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -95.8 142.02 28.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.845 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.788 -177.552 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -121.23 139.36 29.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.63 ' HB3' ' HB2' ' B' ' 9' ' ' ASN . 51.7 Cg_exo -56.02 144.98 77.08 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.558 2.172 . . . . 0.0 111.277 174.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -81.54 -15.17 55.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -170.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.931 ' HD3' ' OE1' ' A' ' 19' ' ' GLN . 12.5 ptmm? -148.31 50.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.098 0.475 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.1 mt 65.0 -77.99 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.64 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 10' ' ' GLY . 29.8 tp -92.9 93.33 8.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.301 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.63 ' HB2' ' HB3' ' B' ' 4' ' ' PRO . 3.4 t-20 -79.47 43.68 0.57 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.087 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.858 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -165.45 133.84 3.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.885 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 26.6 mm -115.71 159.93 15.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 22.1 tptm -99.42 133.04 44.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.147 0.499 . . . . 0.0 111.723 -170.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.733 HD21 HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -134.77 132.51 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.254 174.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.48 123.5 7.71 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.989 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 41' ' ' ARG . 10.5 t -113.99 152.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.729 0.299 . . . . 0.0 110.981 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 12' ' ' LYS . 11.1 m-85 -118.53 120.73 38.39 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.116 169.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.3 pt -129.56 144.22 52.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 51.2 Cg_exo -54.39 157.7 11.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.866 3.044 . . . . 0.0 113.869 -173.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -62.61 -31.88 72.79 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.626 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.98 -30.44 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.737 0.779 . . . . 0.0 109.97 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.739 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 7.8 m0 -79.04 -45.0 21.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.594 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' B' ' 26' ' ' MET . 22.2 t-80 -56.54 -37.18 70.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.864 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.9 -59.04 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.476 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -70.93 -49.56 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.821 -174.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.73 -47.92 76.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.512 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 97.0 mmm -67.01 -27.11 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.698 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HA ' ' OE1' ' B' ' 27' ' ' GLU . 4.7 tp10 -65.15 -42.02 94.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.393 173.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.12 -31.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.73 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.68 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.424 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' B' ' 27' ' ' GLU . 37.2 mttp -79.47 -43.86 22.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 0.0 109.606 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.95 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.096 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -95.56 -1.88 49.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 64.79 56.06 1.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.683 0.754 . . . . 0.0 110.315 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -133.78 166.37 22.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.109 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 39' ' ' VAL . 44.7 p -104.51 159.85 15.41 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 172.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.3 pt? -59.03 -32.99 70.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.989 0.423 . . . . 0.0 110.145 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.1 m -59.0 -46.2 88.76 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.759 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 27.1 m-20 -63.3 -41.63 98.98 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.308 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 35' ' ' THR . 62.5 t -61.55 -36.15 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.635 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -65.47 -61.2 2.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.996 0.426 . . . . 0.0 110.243 -178.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.934 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 4.5 ppt_? -59.0 -33.02 70.23 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 77.2 mt -68.42 -27.36 66.13 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 109.787 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -37.42 65.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.671 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.582 HD12 HD11 ' A' ' 25' ' ' LEU . 2.7 pt -69.54 -28.93 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.715 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -56.02 -48.63 75.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.245 0.545 . . . . 0.0 109.743 171.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.12 -31.47 69.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.741 0.781 . . . . 0.0 109.835 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -64.55 -42.42 95.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.429 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.0 mt -65.69 -46.07 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.387 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.26 -47.05 82.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -82.02 -19.73 39.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -91.84 -33.12 15.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.356 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -123.99 113.39 18.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -111.43 4.81 19.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.081 -166.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.0 -48.85 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -84.44 166.13 17.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.0 111.476 -174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.74 -175.066 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 112.071 -0.411 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 26.1 mtm180 -99.97 120.23 57.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 2.2 Cg_endo -39.56 100.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.333 4.022 . . . . 0.0 115.601 -165.202 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 66.27 -73.05 0.07 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.012 -0.994 . . . . 0.0 113.567 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.19 37.68 3.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.46 90.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.603 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB3' HD11 ' A' ' 11' ' ' ILE . 3.3 mm? 66.02 95.3 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.595 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -87.24 -18.49 30.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.23 143.38 8.72 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 8' ' ' LEU . 15.4 mm -118.74 158.26 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -99.95 131.72 45.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.36 0.6 . . . . 0.0 111.488 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -127.16 136.61 52.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.503 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.43 118.22 5.88 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.037 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 25.6 t -108.22 144.61 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.64 121.45 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.525 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' HE3' ' A' ' 21' ' ' TRP . 30.1 pt -139.68 152.63 68.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.787 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 37.1 Cg_endo -64.91 168.21 14.16 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.335 2.69 . . . . 0.0 113.197 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 1.7 pt20 -72.88 -28.05 62.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.381 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 1.6 mp0 -56.9 -39.37 74.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.015 0.912 . . . . 0.0 109.135 174.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.765 ' CZ3' ' HB2' ' B' ' 41' ' ' ARG . 5.2 m0 -73.91 -43.91 56.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.257 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 1.4 m-70 -58.48 -42.25 87.09 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.267 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.75 -49.63 76.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.113 0.482 . . . . 0.0 110.966 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -71.74 -39.12 70.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.285 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.576 HD21 HD12 ' B' ' 44' ' ' ILE . 1.5 mm? -63.29 -48.76 76.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.13 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.21 -40.06 94.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.8 -45.81 73.72 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.567 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.53 -38.65 82.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 110.671 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.86 -44.63 96.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -77.56 -26.32 50.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.308 0.575 . . . . 0.0 110.058 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.08 -42.78 99.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.558 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -95.51 -3.01 47.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.78 40.76 5.43 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.553 0.692 . . . . 0.0 111.11 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 92.5 mt -126.28 168.66 13.8 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.522 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -103.34 156.86 17.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -57.09 -32.93 66.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.575 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.3 m -56.36 -45.8 80.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.726 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 66.1 m-20 -64.15 -44.9 90.71 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.008 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 0.1 OUTLIER -68.78 -54.34 16.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.363 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.726 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.5 ppt_? -60.19 -34.3 73.42 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.917 -0.489 . . . . 0.0 111.983 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 87.8 mt -68.31 -29.79 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.315 0.578 . . . . 0.0 109.562 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.27 -28.16 62.94 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 63.5 mt -66.98 -37.59 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -59.95 -38.71 83.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.355 173.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.658 ' HG3' ' CD1' ' B' ' 47' ' ' TYR . 12.1 mm-40 -68.85 -35.7 77.25 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.518 0.675 . . . . 0.0 109.346 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -63.5 -45.47 90.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.797 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 HD11 ' B' ' 25' ' ' LEU . 84.3 mt -67.35 -38.95 85.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.909 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.77 -47.32 84.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.6 -36.46 23.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -89.6 -66.25 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.171 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' HE2' ' A' ' 55' ' ' LYS . 31.9 t70 62.49 131.17 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -135.07 -47.63 0.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.253 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -152.01 138.62 18.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.667 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HE2' ' OD1' ' A' ' 52' ' ' ASP . 65.7 mttt -110.45 14.2 22.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.44 -171.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.651 ' O ' ' NH2' ' B' ' 24' ' ' ARG . 59.4 pttt . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.643 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.765 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 87.9 mtm180 -130.57 88.16 47.78 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 159.94 41.95 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.374 2.716 . . . . 0.0 113.556 -173.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 64.56 -91.03 0.03 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.65 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -149.45 84.72 1.43 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.347 0.594 . . . . 0.0 110.254 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.765 ' HA ' ' HB3' ' B' ' 3' ' ' ARG . 1.8 mm? 58.78 41.92 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.669 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.473 HD23 ' HG2' ' B' ' 3' ' ' ARG . 3.7 mm? 70.8 136.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.775 0.797 . . . . 0.0 111.791 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.52 18.55 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.286 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.04 112.75 0.52 Allowed Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.173 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.518 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.4 mm -104.85 154.93 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -98.02 123.58 42.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.62 0.724 . . . . 0.0 111.603 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -129.94 135.02 47.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.739 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 121.8 7.14 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.108 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 37' ' ' SER . 50.7 t -104.39 154.53 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.47 126.67 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.525 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.698 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.1 pt -143.12 155.72 61.79 Favored Pre-proline 0 C--O 1.235 0.333 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.143 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.17 158.84 6.39 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.703 2.935 . . . . 0.0 113.508 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG3' ' OE2' ' B' ' 20' ' ' GLU . 1.4 pp0? -76.14 -31.74 58.75 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.126 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HG3' ' B' ' 19' ' ' GLN . 2.1 pm0 -61.1 -23.97 65.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.298 171.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.698 ' HE3' HD12 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -80.78 -42.77 21.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.428 176.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 26' ' ' MET . 13.5 m-70 -59.76 -35.72 75.18 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.149 0.5 . . . . 0.0 109.845 174.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.81 -64.78 0.81 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.208 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.651 ' NH2' ' O ' ' A' ' 56' ' ' LYS . 52.6 mmt-85 -73.35 -51.9 15.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.0 mm? -65.77 -40.25 91.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.396 -171.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.586 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -68.48 -29.55 68.19 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.276 178.174 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.69 -37.62 85.11 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.611 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.426 HD12 HD13 ' B' ' 25' ' ' LEU . 73.3 mt -65.81 -35.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.524 0.678 . . . . 0.0 109.265 174.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.31 -29.26 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.912 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' B' ' 26' ' ' MET . 59.1 mttp -78.41 -39.66 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.509 ' HG3' ' NZ ' ' B' ' 32' ' ' LYS . 15.8 tp10 -61.61 -43.99 97.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.266 -1.333 . . . . 0.0 111.104 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.864 ' HA ' ' HE3' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -95.82 -2.95 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -176.107 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m120 64.97 44.76 3.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.512 0.672 . . . . 0.0 111.119 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -132.92 169.31 16.96 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.928 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.1 p -103.28 160.25 14.84 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.484 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.5 pt? -60.28 -32.91 71.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.804 0.335 . . . . 0.0 110.372 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 15' ' ' VAL . 14.8 m -58.37 -41.55 85.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.45 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.5 m-20 -63.32 -48.78 76.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.051 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.05 -35.14 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.76 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.892 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.9 t -65.51 -56.1 14.19 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.97 0.414 . . . . 0.0 110.718 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.765 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 4.4 ppt_? -63.95 -37.3 86.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.6 mt -67.3 -23.97 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.565 -0.709 . . . . 0.0 109.92 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.43 69.55 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.765 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 33.6 pt -70.46 -26.19 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.421 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.67 -42.78 97.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.028 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.84 -35.4 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.715 0.769 . . . . 0.0 108.984 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.658 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 58.3 t80 -62.08 -45.47 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.348 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.6 mt -65.83 -47.83 73.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.606 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -63.08 -38.54 91.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.271 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -77.83 -34.34 51.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -88.33 -51.99 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 53.64 100.71 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.65 -16.68 8.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.585 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -157.39 151.14 24.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.798 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -104.56 -7.55 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.246 0.546 . . . . 0.0 109.967 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.0 pttt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.347 -178.233 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.657 ' HG3' ' HA ' ' A' ' 7' ' ' LEU . 56.9 ttp180 -160.91 81.57 2.1 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.804 0.302 . . . . 0.0 111.275 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.05 -52.42 0.91 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.432 2.088 . . . . 0.0 111.149 172.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -143.61 -75.07 0.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.79 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 46.92 1.36 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.657 ' HA ' ' HG3' ' A' ' 3' ' ' ARG . 46.8 tp 59.75 -94.41 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.927 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 90.4 mt -91.07 112.0 23.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.843 0.354 . . . . 0.0 110.472 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.801 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 19.2 p-10 -83.26 63.57 7.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.835 0.826 . . . . 0.0 109.444 174.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.24 129.15 2.16 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.833 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 4.7 mp -129.59 149.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -172.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 4.8 tmmm? -100.53 127.89 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.403 0.62 . . . . 0.0 110.073 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -121.96 150.54 41.88 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.524 -175.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.46 111.26 3.97 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.623 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.721 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 34.7 t -103.71 141.36 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 121.74 39.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.328 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.632 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.3 pt -139.91 149.62 59.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.94 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 33.4 Cg_exo -59.05 160.17 19.52 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.717 2.945 . . . . 0.0 114.041 -175.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.949 ' OE1' ' HG2' ' B' ' 6' ' ' LYS . 19.8 pt20 -63.9 -30.09 71.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.433 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 27.3 mt-10 -56.53 -37.63 70.73 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.952 0.882 . . . . 0.0 109.501 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.632 ' HE3' HD12 ' A' ' 17' ' ' ILE . 13.9 m0 -77.57 -52.51 8.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.657 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -53.58 -44.81 69.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.44 -50.82 68.24 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.1 mpt_? -74.2 -35.79 63.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.897 0.379 . . . . 0.0 111.072 -174.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 3.6 mm? -66.49 -48.74 68.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.76 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.475 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 94.0 mmm -63.72 -27.07 68.96 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.79 -54.02 45.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.542 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.61 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.303 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.273 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -78.0 -32.77 51.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -49.89 74.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.937 176.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -87.33 -5.2 58.98 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 64.87 45.55 3.22 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.241 0.543 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.0 mt -129.33 166.5 19.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.597 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 39' ' ' VAL . 75.1 p -104.83 157.07 17.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -59.82 -27.71 66.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.353 . . . . 0.0 110.226 174.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.052 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.2 m -60.14 -48.37 81.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 170.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.543 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 36.3 m-20 -63.71 -47.7 80.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 35' ' ' THR . 56.4 t -63.85 -28.9 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.1 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.6 t -69.87 -51.2 35.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.8 ppt_? -67.13 -31.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.975 -0.453 . . . . 0.0 111.292 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 90.9 mt -71.52 -21.23 61.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.319 0.58 . . . . 0.0 110.259 174.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -70.17 -50.48 39.84 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.032 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.777 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.6 pt -70.01 -22.03 24.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -56.65 -49.71 74.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.14 0.495 . . . . 0.0 109.679 170.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.13 -36.17 72.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.892 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 72.5 t80 -61.19 -42.25 98.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.571 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 78.3 mt -63.8 -50.87 67.27 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.763 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -60.33 -36.88 78.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -78.07 -28.52 48.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -95.02 -31.65 13.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.548 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 51.45 -149.71 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.8 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -93.63 -47.12 6.96 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -155.37 -178.36 7.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.848 173.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -122.4 126.42 47.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.407 . . . . 0.0 110.604 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.375 -0.822 . . . . 0.0 109.921 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.86 ' HG3' ' HA ' ' B' ' 7' ' ' LEU . 12.8 ttp180 -140.36 77.16 24.59 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 122.697 -0.296 . . . . 0.0 110.982 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.85 -48.3 7.1 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.492 2.128 . . . . 0.0 112.322 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -146.48 -80.85 0.15 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.703 0.287 . . . . 0.0 111.113 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.949 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -89.56 55.79 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.804 0.335 . . . . 0.0 110.817 -177.676 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.86 ' HA ' ' HG3' ' B' ' 3' ' ' ARG . 37.1 tp 63.82 -91.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.012 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.8 mt -93.81 120.15 33.71 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.6 p-10 -82.07 56.42 3.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.316 0.579 . . . . 0.0 110.942 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.94 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -158.53 147.66 15.69 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.408 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.758 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 3.7 mp -119.46 150.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.69 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -100.53 130.15 46.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 109.949 -176.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.721 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -128.86 139.85 51.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.599 -176.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.484 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -104.26 118.95 6.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 1.052 HG22 ' HA ' ' A' ' 37' ' ' SER . 37.2 t -110.7 146.02 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -109.44 124.87 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.709 HD12 ' HE3' ' B' ' 21' ' ' TRP . 25.1 pt -140.51 150.45 60.73 Favored Pre-proline 0 C--O 1.236 0.391 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.801 ' HA ' ' O ' ' A' ' 9' ' ' ASN . 36.4 Cg_exo -61.87 156.11 50.76 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.876 3.051 . . . . 0.0 113.582 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.461 ' HG2' ' HB2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.07 -24.78 61.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.119 -176.561 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.624 ' CD ' HD22 ' A' ' 9' ' ' ASN . 2.2 mp0 -55.3 -33.45 63.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 173.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -79.12 -43.56 23.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.706 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.833 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 66.0 m80 -55.46 -40.79 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.28 -65.76 0.62 Allowed 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -73.08 -48.75 33.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.721 -171.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.631 HD11 HD21 ' A' ' 48' ' ' LEU . 4.2 mm? -66.2 -45.13 81.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.607 -174.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.669 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 81.7 mmm -66.12 -30.52 71.03 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.923 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.07 -38.16 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.401 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.39 -37.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.556 175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.86 -25.51 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.525 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 26' ' ' MET . 33.3 mmtp -77.77 -43.14 31.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -46.33 89.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -92.12 -2.05 56.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.67 51.98 0.78 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.203 0.525 . . . . 0.0 111.545 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.3 mt -134.69 167.18 21.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.905 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 39' ' ' VAL . 80.1 p -104.64 164.22 11.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 169.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.651 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 2.2 pt? -56.36 -39.89 73.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.511 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 14.6 m -56.26 -43.52 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 58.4 m-20 -64.05 -45.6 88.1 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 35' ' ' THR . 57.2 t -61.91 -42.42 94.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -175.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.777 ' HA ' HG23 ' A' ' 44' ' ' ILE . 24.8 m -63.7 -57.28 10.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.644 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.4 ppt_? -62.01 -33.72 74.87 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 42' ' ' LEU . 55.5 mt -66.36 -31.98 73.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.376 0.608 . . . . 0.0 109.75 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.892 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.16 -22.22 60.54 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.434 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.544 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 65.6 mt -67.27 -42.04 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.19 -40.48 81.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.039 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.09 -38.42 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.4 0.619 . . . . 0.0 109.957 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -62.14 -43.69 98.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.936 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 62.0 mt -69.44 -56.44 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.731 176.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -63.9 -13.83 48.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.514 -172.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.466 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 40.2 t-20 -68.56 -58.13 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.586 ' HA ' ' HE3' ' B' ' 55' ' ' LYS . 32.5 p-80 -95.27 -16.0 22.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.481 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 53.71 -140.21 0.96 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.525 0.516 . . . . 0.0 109.928 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.69 -44.86 22.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -156.58 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.826 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' B' ' 51' ' ' HIS . 94.6 mttt -101.55 124.7 47.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.522 -177.821 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.621 ' HD2' HD12 ' A' ' 8' ' ' LEU . 23.9 mmt180 -102.21 104.97 40.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.699 ' HB2' ' OE1' ' B' ' 19' ' ' GLN . 4.7 Cg_exo -74.65 148.3 36.77 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.676 2.25 . . . . 0.0 111.461 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.11 61.39 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.118 0.485 . . . . 0.0 111.888 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -140.14 -80.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.83 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.9 tp -147.21 50.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.334 0.588 . . . . 0.0 109.946 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD12 ' HD2' ' A' ' 3' ' ' ARG . 3.1 mm? 54.91 41.05 32.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.717 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . 8.3 t-20 55.52 46.17 23.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.985 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.27 105.01 0.25 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.758 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.82 141.51 20.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -100.69 122.32 43.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.738 HD13 HD12 ' B' ' 36' ' ' LEU . 1.3 pt? -133.59 133.72 42.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.936 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.584 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -103.7 129.93 10.05 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.92 175.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' B' ' 37' ' ' SER . 43.9 t -112.47 152.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -116.52 120.66 39.43 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.568 0.223 . . . . 0.0 110.728 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.806 HD12 ' HE3' ' A' ' 21' ' ' TRP . 6.7 pt -140.63 156.04 69.31 Favored Pre-proline 0 C--N 1.32 -0.688 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.714 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.894 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 63.3 Cg_exo -53.79 145.9 47.93 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.336 2.69 . . . . 0.0 112.705 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 1.294 ' OE1' ' HG3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -75.3 -11.78 60.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.798 -178.14 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.8 mt-10 -53.91 -42.18 68.46 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.862 0.839 . . . . 0.0 109.008 169.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.806 ' HE3' HD12 ' A' ' 17' ' ' ILE . 36.7 m0 -80.64 -34.66 34.76 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.078 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 1.239 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 59.1 m80 -56.54 -38.14 71.46 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.904 175.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.55 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.04 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 12.0 mpt_? -73.03 -44.82 60.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.782 -172.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HD12 ' B' ' 44' ' ' ILE . 66.4 mt -63.49 -47.21 82.68 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.265 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 88.1 mmm -67.43 -29.23 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.679 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.53 -49.31 66.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.076 0.465 . . . . 0.0 109.837 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ARG . 66.1 mt -62.23 -35.65 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 109.755 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.08 -28.39 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -75.57 -45.21 39.13 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.32 -37.63 88.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.381 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.69 -5.49 42.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -174.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.35 43.07 2.79 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.778 0.799 . . . . 0.0 111.092 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.642 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.6 mt -128.54 170.05 13.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.392 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -109.15 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.963 168.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.98 -37.21 76.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.338 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' B' ' 15' ' ' VAL . 20.1 m -57.22 -43.78 83.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.505 176.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.61 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 44.8 m-20 -62.77 -51.17 68.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.4 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.09 -35.47 68.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.022 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.688 ' HA ' ' CG2' ' B' ' 44' ' ' ILE . 3.7 t -71.19 -53.55 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.518 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.681 ' HB3' HG11 ' B' ' 15' ' ' VAL . 6.4 ppt_? -61.48 -37.89 85.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.749 -0.595 . . . . 0.0 111.493 173.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.76 -23.71 66.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 121.664 -0.647 . . . . 0.0 109.909 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HG22 ' B' ' 44' ' ' ILE . . . -71.78 -33.43 68.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.725 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.634 ' CG1' ' HA ' ' B' ' 40' ' ' CYS . 47.2 mt -67.01 -42.67 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.38 -41.97 86.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.133 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' ' HD1' ' B' ' 47' ' ' TYR . 4.2 tp10 -70.58 -34.6 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 59.0 t80 -63.89 -48.66 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.249 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.9 mt -67.88 -54.46 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.534 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.9 -32.99 72.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.371 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -16.85 52.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.902 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -92.52 -51.32 5.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.245 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -93.48 74.19 4.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.222 1.011 . . . . 0.0 108.791 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.61 -68.46 0.66 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.174 -1.376 . . . . 0.0 110.961 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -93.6 6.19 49.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.364 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -120.42 93.72 4.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.062 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' B' ' 4' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -88.81 110.6 38.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.588 0.232 . . . . 0.0 110.44 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' B' ' 2' ' ' GLY . 2.0 Cg_endo -85.19 176.33 5.9 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.791 2.328 . . . . 0.0 110.936 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -86.27 -10.54 54.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.556 0.693 . . . . 0.0 109.336 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 1.294 ' HG3' ' OE1' ' A' ' 19' ' ' GLN . 72.0 mmtt -93.89 -174.51 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.796 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -87.13 67.34 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.74 -174.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 56.84 28.87 15.14 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.874 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.894 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 65.4 t30 53.36 49.96 18.56 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.482 0.658 . . . . 0.0 110.616 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . -159.12 106.31 0.28 Allowed Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 1.239 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 34.8 mm -114.78 159.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -171.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.584 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -99.22 122.65 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.443 0.464 . . . . 0.0 110.068 -171.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -125.6 135.6 52.37 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.081 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.25 120.79 6.89 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.31 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 41' ' ' ARG . 14.9 t -107.31 158.77 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.414 ' HD1' ' HA ' ' B' ' 16' ' ' TYR . 0.0 OUTLIER -135.05 116.6 14.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' B' ' 21' ' ' TRP . 31.5 pt -140.55 150.37 60.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.957 -175.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 19.4 Cg_endo -61.45 163.78 16.98 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.926 2.417 . . . . 0.0 113.439 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.699 ' OE1' ' HB2' ' A' ' 4' ' ' PRO . 18.1 pt20 -66.51 -31.77 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.676 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.53 -35.99 54.57 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.988 0.899 . . . . 0.0 109.89 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' B' ' 17' ' ' ILE . 2.6 m95 -75.89 -56.7 4.42 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.18 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.579 ' O ' ' HG2' ' B' ' 26' ' ' MET . 31.5 t60 -54.87 -43.08 72.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.53 -51.6 69.17 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -71.73 -35.25 70.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 65.8 mt -65.52 -40.25 92.77 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.969 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 91.0 mmm -62.57 -38.92 91.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.382 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.08 -44.72 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.083 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.03 -39.83 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.516 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.89 -34.81 78.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -78.23 -34.55 49.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.551 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.04 -46.67 83.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.285 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -2.65 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.05 50.53 1.43 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.49 0.662 . . . . 0.0 111.24 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.0 mt -135.59 168.36 19.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.82 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -104.43 164.91 11.41 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.042 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.422 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.772 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.3 m -58.09 -39.9 79.77 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.279 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 69.2 m-20 -64.64 -44.12 91.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.411 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -35.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.732 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.634 ' HA ' ' CG1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -65.65 -64.75 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.821 0.344 . . . . 0.0 110.206 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.9 ppt_? -58.09 -33.83 69.5 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.68 -33.89 74.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.137 -0.977 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -72.6 -29.43 63.49 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.378 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.688 ' CG2' ' HA ' ' A' ' 40' ' ' CYS . 7.3 pt -72.42 -31.32 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.456 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -62.0 -34.66 76.59 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.478 173.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.84 -39.92 76.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.685 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.455 ' HA ' ' ND2' ' B' ' 50' ' ' ASN . 40.1 t80 -66.74 -45.15 79.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.248 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 78.6 mt -66.5 -45.65 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.445 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.65 -35.38 79.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.711 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' B' ' 47' ' ' TYR . 4.2 p30 -81.75 -15.48 54.17 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.76 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -92.35 -43.9 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.593 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -92.67 76.5 4.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.705 ' HG2' ' HG3' ' B' ' 54' ' ' GLN . 38.7 ttmt -48.57 -58.29 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.007 0.817 . . . . 0.0 110.771 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.705 ' HG3' ' HG2' ' B' ' 53' ' ' LYS . 44.0 mt-30 -144.61 25.28 1.49 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.914 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -111.77 38.52 2.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.2 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.036 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -97.6 113.49 63.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 54.6 Cg_endo -75.49 92.05 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.592 2.195 . . . . 0.0 113.325 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 66.67 -68.97 0.13 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.79 0.836 . . . . 0.0 112.782 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HG3' ' H ' ' A' ' 7' ' ' LEU . 14.6 ptmt -143.69 -68.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.375 -172.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' H ' ' HG3' ' A' ' 6' ' ' LYS . 63.5 mt -97.38 170.08 9.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.8 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -172.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 65.08 -69.94 0.09 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.682 0.793 . . . . 0.0 112.17 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.73 128.9 9.71 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 13.0 mm -114.74 150.03 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -173.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -99.9 132.15 45.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.343 0.592 . . . . 0.0 111.167 -168.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -129.63 145.01 51.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.789 178.443 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' CA ' ' HE3' ' B' ' 12' ' ' LYS . . . -102.39 122.01 7.38 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.861 -177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.974 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 8.8 t -113.8 150.74 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CZ ' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -133.11 117.62 17.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.183 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.701 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 31.0 pt -138.26 159.21 69.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.681 -176.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 36.9 Cg_endo -63.72 162.13 29.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.005 2.47 . . . . 0.0 113.463 -170.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.51 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.519 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 mm-40 -60.5 -30.39 69.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 0.7 OUTLIER -78.57 -45.2 22.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.877 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 42.5 m-70 -58.77 -44.87 90.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.555 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -57.93 -51.94 67.56 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.256 0.348 . . . . 0.0 111.723 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 52.6 mmt-85 -76.27 -40.3 52.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.952 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.61 -49.06 72.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.797 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 98.0 mmm -66.03 -25.59 67.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.71 0.29 . . . . 0.0 111.213 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.61 -47.87 68.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.822 177.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.86 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 109.207 173.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.661 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.18 -19.11 65.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.825 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 26' ' ' MET . 62.0 mttp -80.31 -45.86 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -62.41 -45.91 90.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.39 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -95.24 -7.54 38.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.435 -170.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 63.0 68.82 0.61 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.655 0.741 . . . . 0.0 110.905 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.661 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 93.4 mt -139.59 168.49 19.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.795 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 p -104.83 153.02 21.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.5 pt? -57.78 -33.85 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.335 0.516 . . . . 0.0 110.298 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.821 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.7 m -56.07 -43.2 77.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.217 176.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 64.8 m-20 -62.77 -39.8 95.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.67 -36.08 75.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.281 -176.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.655 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 3.7 m -69.62 -51.36 35.7 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.13 0.49 . . . . 0.0 110.271 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.858 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -48.99 -48.11 43.67 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.298 170.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 93.6 mt -67.83 -30.43 69.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.458 . . . . 0.0 110.44 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.34 -32.81 68.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.884 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.5 mt -65.43 -39.52 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -56.67 -47.19 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.904 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' A' ' 50' ' ' ASN . 30.4 tt0 -71.07 -36.25 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -62.39 -44.0 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.488 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 81.7 mt -64.81 -37.59 88.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.264 0.554 . . . . 0.0 110.079 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.45 -43.56 97.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.534 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' OE2' ' B' ' 46' ' ' GLU . 63.5 m-20 -74.05 -31.93 63.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.705 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -90.7 -4.71 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.402 -175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 23.5 t70 60.72 -172.45 0.13 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.101 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 47.0 tttp -81.48 -41.54 21.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.136 0.493 . . . . 0.0 110.538 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -86.95 148.22 25.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.341 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 3.1 mptp? -129.41 84.02 2.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tptp . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.982 -178.143 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -159.17 96.23 1.69 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.83 88.68 0.1 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.441 2.761 . . . . 0.0 112.833 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.3 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.674 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HG3' ' HG ' ' B' ' 7' ' ' LEU . 20.4 ptmt -141.79 4.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.379 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HG ' ' HG3' ' B' ' 6' ' ' LYS . 89.2 mt -142.89 157.42 44.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -175.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.51 62.22 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.724 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 57.3 m-80 71.71 -44.24 0.59 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.834 0.853 . . . . 0.0 112.802 177.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -159.36 167.26 35.0 Favored Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.006 -172.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.877 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.2 mm -110.81 161.47 9.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.874 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 22.2 tptm -99.39 131.46 45.39 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 111.105 -173.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.974 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 1.1 pt? -135.4 166.27 23.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.62 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.49 127.56 2.87 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.58 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 37' ' ' SER . 61.2 t -104.72 146.89 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.03 116.82 32.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.662 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.858 HG22 ' CG ' ' A' ' 41' ' ' ARG . 25.9 pt -139.63 149.78 60.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 177.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.83 151.37 20.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.436 2.757 . . . . 0.0 113.071 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.5 -25.33 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 21.7 mm-40 -59.11 -32.47 69.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.316 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 41' ' ' ARG . 13.3 m0 -75.52 -44.06 45.61 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.434 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.1 m-70 -51.18 -52.17 46.76 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.628 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.36 -49.44 77.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 67.6 mmt-85 -71.87 -46.33 58.26 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.456 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.531 HD22 HG11 ' B' ' 39' ' ' VAL . 92.5 mt -66.42 -46.28 77.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.994 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.698 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 93.4 mmm -64.85 -24.66 67.61 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -67.16 -48.44 68.0 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.243 0.544 . . . . 0.0 109.826 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.52 -35.05 68.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.847 0.832 . . . . 0.0 108.807 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.96 -20.91 66.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.017 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' B' ' 26' ' ' MET . 97.4 mttt -79.53 -43.76 22.47 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.658 ' HB2' ' HD2' ' B' ' 32' ' ' LYS . 46.9 mt-10 -60.22 -54.5 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.658 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 11.2 mptt -92.61 -1.57 56.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 t30 63.66 64.09 0.81 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.93 0.871 . . . . 0.0 110.189 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.737 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.3 mt -132.4 168.74 17.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.386 -177.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 78.1 p -114.12 162.29 16.68 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.4 pt? -61.2 -29.31 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.139 0.427 . . . . 0.0 110.154 173.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.53 -46.66 86.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.922 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.705 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 28.1 m-20 -65.17 -42.9 93.25 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.054 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.531 HG11 HD22 ' B' ' 25' ' ' LEU . 61.1 t -63.83 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.073 0.463 . . . . 0.0 110.683 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.655 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.94 -39.07 92.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.492 178.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.781 HH11 HD23 ' B' ' 42' ' ' LEU . 3.0 tmt_? -61.02 -45.47 94.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.247 172.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.781 HD23 HH11 ' B' ' 41' ' ' ARG . 79.8 mt -64.63 -29.39 70.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.299 0.571 . . . . 0.0 110.392 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -70.64 -46.58 63.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.399 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.61 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -67.65 -29.16 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.785 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.85 -45.34 92.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' A' ' 50' ' ' ASN . 33.1 tt0 -73.08 -31.86 64.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -59.96 -41.82 92.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.726 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.9 mt -65.39 -54.59 26.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.575 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.67 -26.19 68.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.156 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -73.94 -35.54 64.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.567 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -89.92 -19.17 24.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 64.69 -74.88 0.05 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.221 -1.354 . . . . 0.0 113.676 166.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -165.93 -38.41 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.46 0.647 . . . . 0.0 109.658 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.88 85.74 7.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.196 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -83.84 79.75 9.37 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 tptp . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.603 -176.246 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -111.26 136.31 20.92 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.705 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 10.3 Cg_exo -72.33 -155.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.654 2.236 . . . . 0.0 110.959 174.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -81.4 129.89 34.82 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.824 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 60.78 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.125 0.97 . . . . 0.0 112.516 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.7 tp -145.14 78.0 1.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' HA ' ' HG2' ' A' ' 4' ' ' PRO . 84.5 mt 59.91 19.64 8.63 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.335 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 t30 55.22 53.11 10.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.075 0.94 . . . . 0.0 109.551 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.75 104.89 0.26 Allowed Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.797 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.77 161.7 4.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -172.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -98.52 131.01 45.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 110.84 -171.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD22 ' CE1' ' B' ' 22' ' ' HIS . 0.9 OUTLIER -133.57 128.77 35.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.699 177.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.0 120.54 6.71 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.443 -0.885 . . . . 0.0 112.025 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.4 t -109.01 146.63 14.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.56 127.89 55.86 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.0 pt -138.36 145.72 48.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 123.261 0.351 . . . . 0.0 110.588 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 27.7 Cg_exo -63.06 171.37 6.28 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.576 2.85 . . . . 0.0 114.569 -173.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.85 -44.11 94.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.105 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' CD ' HH22 ' A' ' 24' ' ' ARG . 8.0 mm-40 -54.21 -29.52 46.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.49 0.662 . . . . 0.0 111.127 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.653 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 8.3 m0 -76.63 -56.81 4.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.615 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.756 ' ND1' HG21 ' B' ' 11' ' ' ILE . 31.9 t60 -54.11 -36.15 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.71 -66.2 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.316 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.434 HH22 ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -77.28 -38.74 50.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.3 -43.31 98.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.787 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.687 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 88.7 mmm -64.57 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.6 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.94 -41.75 90.9 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.862 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 24' ' ' ARG . 83.2 mt -61.96 -37.48 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.317 0.579 . . . . 0.0 109.663 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.16 -24.77 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.614 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HG2' ' O ' ' A' ' 26' ' ' MET . 32.1 mmtp -75.24 -40.26 59.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.96 -39.22 94.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.367 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -95.43 -3.19 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.85 40.7 7.31 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.221 0.534 . . . . 0.0 111.047 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.1 mt -128.43 166.96 17.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.715 -177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.3 p -106.3 165.22 11.41 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -58.99 -36.32 74.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.818 0.342 . . . . 0.0 110.408 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.747 ' HA ' HG22 ' B' ' 15' ' ' VAL . 13.0 m -56.82 -42.05 78.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.541 174.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.559 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 25.2 m-20 -64.31 -52.08 60.28 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.774 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.15 -33.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.643 ' HA ' HD11 ' B' ' 44' ' ' ILE . 2.9 t -69.41 -56.58 7.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.233 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 3.5 ppt_? -62.97 -28.02 69.8 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.635 -0.665 . . . . 0.0 112.179 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' ARG . 67.9 mt -72.2 -23.36 61.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 109.854 173.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -69.94 -42.44 73.25 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.192 177.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.729 ' CG2' ' HA ' ' B' ' 40' ' ' CYS . 29.2 pt -70.29 -25.88 28.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.19 -46.56 88.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.409 0.624 . . . . 0.0 109.687 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.8 -32.46 69.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.933 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.616 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 73.7 t80 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.234 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 86.8 mt -65.71 -46.92 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -46.4 89.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.975 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -80.66 -27.83 37.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -174.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.09 -17.03 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.863 -174.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.13 89.97 3.2 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -84.13 -63.26 1.38 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.153 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.18 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -97.61 -4.04 38.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.741 -178.032 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -116.77 100.48 53.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.151 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.628 ' HD2' ' HA ' ' B' ' 8' ' ' LEU . 8.8 Cg_exo -71.62 -56.43 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.997 2.465 . . . . 0.0 112.068 -177.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -138.84 81.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.519 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 60.66 -91.45 0.03 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.638 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 tp -91.86 59.8 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.916 0.389 . . . . 0.0 110.732 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.628 ' HA ' ' HD2' ' B' ' 4' ' ' PRO . 82.0 mt 58.83 15.08 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.663 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 63.6 t30 59.73 45.2 13.17 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.618 0.723 . . . . 0.0 109.761 -175.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.29 118.38 0.82 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.238 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.756 HG21 ' ND1' ' A' ' 22' ' ' HIS . 35.0 mm -107.19 142.28 20.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.22 117.45 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.146 0.498 . . . . 0.0 110.212 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.772 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.89 140.51 50.74 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.665 -178.124 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.33 115.76 5.23 Favored Glycine 0 N--CA 1.44 -1.076 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.792 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 37' ' ' SER . 20.5 t -105.03 156.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -136.65 123.82 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.704 0.288 . . . . 0.0 111.008 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.515 ' HB ' ' HD2' ' B' ' 18' ' ' PRO . 17.3 pt -147.86 160.92 36.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.46 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 9.2 Cg_endo -50.61 147.31 17.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.565 2.843 . . . . 0.0 112.767 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.08 -30.24 68.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.194 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HB3' ' NH2' ' B' ' 24' ' ' ARG . 38.7 mt-10 -54.62 -35.31 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.565 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.614 ' O ' ' HB2' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -80.39 -32.31 37.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.326 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.555 ' CE1' HD22 ' A' ' 13' ' ' LEU . 32.2 m80 -63.37 -46.95 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.063 174.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.89 -55.28 36.89 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.833 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.573 ' NH2' ' HB3' ' B' ' 20' ' ' GLU . 0.3 OUTLIER -75.07 -35.92 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.778 -175.132 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 3.5 mm? -66.56 -47.5 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.652 ' O ' ' HG2' ' B' ' 30' ' ' LYS . 71.3 mmm -62.81 -34.19 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.73 -41.2 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.503 ' O ' ' HD3' ' B' ' 32' ' ' LYS . 72.1 mt -63.41 -37.29 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.913 0.864 . . . . 0.0 108.749 172.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.19 -21.48 66.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.326 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 26' ' ' MET . 35.3 mmtp -75.35 -37.66 60.54 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -61.01 -37.78 83.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.331 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' B' ' 28' ' ' ILE . 13.2 mptt -92.17 -4.28 54.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.861 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 64.52 39.95 6.46 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.363 0.601 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.9 mt -133.81 168.74 18.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.892 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.7 p -103.57 163.93 11.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.56 -32.32 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.37 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.621 ' HA ' HG22 ' A' ' 15' ' ' VAL . 18.1 m -57.34 -44.94 84.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.774 174.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.729 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 64.1 m-20 -64.75 -44.96 88.42 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.883 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.59 -32.28 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.566 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.729 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.67 -61.65 2.17 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.497 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.729 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 4.1 ppt_? -61.69 -34.71 76.23 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 67.8 mt -66.62 -30.84 71.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.554 -0.716 . . . . 0.0 110.289 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.94 -27.37 62.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.142 175.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 40' ' ' CYS . 17.6 mt -68.1 -40.74 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.64 -33.46 72.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.218 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -72.63 -39.98 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.469 0.652 . . . . 0.0 109.432 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.28 -45.27 94.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.691 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.64 -49.29 66.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.01 -31.65 70.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.499 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.28 -27.59 53.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.764 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -90.13 -19.74 23.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.024 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -99.9 119.91 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.742 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -128.76 -70.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 64.51 99.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.198 0.523 . . . . 0.0 111.901 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.26 -22.83 22.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 tttp . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.615 -177.385 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -152.88 127.0 4.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . 3.6 Cg_exo -76.5 96.51 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.741 2.294 . . . . 0.0 111.714 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -82.2 -27.74 32.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.282 ' HA ' ' OE1' ' B' ' 19' ' ' GLN . 21.0 pttm -83.64 -9.15 59.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.946 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 4' ' ' PRO . 52.9 tp -95.99 -26.49 15.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 110.15 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -92.52 -32.88 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -82.21 147.41 29.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.06 166.35 35.09 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.403 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG13 ' CE1' ' B' ' 22' ' ' HIS . 39.0 mm -108.08 149.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -100.74 114.72 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.704 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.768 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -110.78 165.82 11.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 -178.686 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.857 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -134.85 122.67 2.93 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.198 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.711 ' HA ' ' HB3' ' B' ' 37' ' ' SER . 13.8 t -105.56 163.78 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 15' ' ' VAL . 7.6 m-85 -128.92 123.76 33.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.2 pt -139.41 148.15 55.41 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.291 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 37.5 Cg_endo -66.45 162.99 34.13 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 123.305 2.67 . . . . 0.0 113.308 -177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -17.79 64.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.536 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.44 -38.24 63.35 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.838 170.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.64 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 12.7 m0 -80.25 -41.24 25.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.811 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.76 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 6.1 m80 -60.51 -55.55 32.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.026 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . 32.2 t70 -60.98 -58.11 9.79 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.146 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 1.8 mpt_? -77.85 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 39.8 mt -66.59 -40.91 89.11 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.449 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.647 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 79.7 mtp -70.48 -27.0 63.87 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.176 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.88 -43.38 93.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.213 0.53 . . . . 0.0 109.638 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.21 -34.82 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.739 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.07 68.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.153 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.9 mttm -78.18 -36.67 47.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.16 -38.8 90.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.313 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.53 -3.88 54.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.935 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 63.37 43.43 6.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.356 0.598 . . . . 0.0 111.956 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.29 165.79 24.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -107.28 161.71 14.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.346 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 HD13 ' B' ' 13' ' ' LEU . 2.2 pt? -55.95 -42.92 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.88 0.309 . . . . 0.0 111.428 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.016 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.0 m -58.01 -43.8 86.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.706 0.289 . . . . 0.0 110.994 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.594 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.0 m-20 -65.01 -48.14 74.98 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.24 -37.27 79.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 t -67.37 -42.78 82.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HG2' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -61.17 -46.79 89.07 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.302 0.641 . . . . 0.0 111.182 173.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 69.1 mt -67.41 -24.24 65.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.29 0.567 . . . . 0.0 109.749 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.36 67.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.097 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.619 ' HB ' ' CZ2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -66.52 -41.14 88.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.665 -178.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -63.24 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.475 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.68 -33.45 72.57 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.483 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 78.2 t80 -64.22 -44.82 90.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD11 ' HE1' ' B' ' 21' ' ' TRP . 84.8 mt -65.27 -47.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.983 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -37.08 78.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.455 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.73 -32.86 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -89.0 -4.83 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.965 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -97.54 -48.49 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -67.6 -47.77 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.955 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 65.37 114.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 1.582 ' HB2' ' CD ' ' B' ' 55' ' ' LYS . 24.1 pttm -84.95 -32.93 22.78 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 168.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.6 tttm . . . . . 0 C--O 1.251 1.183 0 CA-C-N 114.394 -1.275 . . . . 0.0 108.818 179.069 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.244 -0.343 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -170.96 105.21 0.4 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -84.33 106.21 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.443 2.096 . . . . 0.0 112.982 -172.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -81.05 -7.0 59.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -88.12 -31.35 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.58 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 tp -95.48 -23.86 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.231 0.539 . . . . 0.0 110.224 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.42 43.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 173.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -152.45 155.14 36.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.67 142.62 8.15 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.76 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 12.5 mm -113.41 156.89 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.857 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 21.4 tptm -99.6 125.68 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 -177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.781 HD13 HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.26 139.37 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.423 -177.069 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.708 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -103.56 118.98 6.2 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.522 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 1.016 HG22 ' HA ' ' A' ' 37' ' ' SER . 60.8 t -106.0 138.59 30.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.99 124.25 50.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -176.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.662 HG22 ' HG2' ' A' ' 41' ' ' ARG . 35.9 pt -141.8 153.33 64.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.347 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 75.0 Cg_exo -51.35 148.74 18.54 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.62 2.88 . . . . 0.0 113.493 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 1.282 ' OE1' ' HA ' ' A' ' 6' ' ' LYS . 20.3 pt20 -58.4 -45.07 89.07 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.632 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.596 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 54.4 mm-40 -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.433 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.619 ' CZ2' ' HB ' ' A' ' 44' ' ' ILE . 7.8 t90 -82.87 -37.84 23.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.402 ' CE1' HG13 ' A' ' 11' ' ' ILE . 39.7 t-80 -56.97 -45.72 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.254 172.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.29 -51.67 68.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.662 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.6 mpt_? -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.234 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 25' ' ' LEU . 9.2 mt -62.85 -52.16 64.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.929 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' B' ' 29' ' ' ALA . 86.6 mtp -67.38 -25.32 65.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.45 -42.8 82.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.149 0.499 . . . . 0.0 109.768 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.78 -33.51 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 109.427 173.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.36 -20.54 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.314 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 26' ' ' MET . 51.0 mttm -76.92 -45.63 27.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -58.23 -41.41 84.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.347 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.25 -4.21 46.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 59.86 44.48 13.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.623 0.725 . . . . 0.0 110.725 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.627 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 94.1 mt -128.34 171.28 12.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.571 -175.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -101.62 152.55 20.67 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -59.88 -28.95 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.127 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.711 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 15.6 m -56.94 -45.39 82.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.546 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -64.77 -36.71 85.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.18 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.217 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.8 m -67.01 -49.17 66.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.043 0.449 . . . . 0.0 110.6 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.64 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -52.96 -47.63 67.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.298 0.639 . . . . 0.0 112.24 171.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' B' ' 41' ' ' ARG . 89.9 mt -66.58 -28.31 68.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.401 0.62 . . . . 0.0 110.183 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.5 -26.7 61.01 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.131 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.58 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 12.7 mt -69.47 -40.71 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.95 -40.64 81.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.478 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.24 -40.44 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.087 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.88 -45.47 94.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.73 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.4 mt -64.28 -40.55 96.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.715 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.58 -54.77 38.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.083 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.18 -18.77 55.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.909 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -87.01 -18.73 29.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.062 0.458 . . . . 0.0 110.674 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.18 -21.96 19.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.368 0.604 . . . . 0.0 109.461 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.25 -63.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.579 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 58.0 99.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.625 0.578 . . . . 0.0 111.166 -175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 1.582 ' CD ' ' HB2' ' A' ' 55' ' ' LYS . 25.1 pttm -81.76 9.59 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.867 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.985 -179.683 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.48 78.02 0.36 Allowed Pre-proline 0 N--CA 1.463 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 110.131 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.98 166.78 23.56 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.021 2.48 . . . . 0.0 112.0 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.18 -11.71 59.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.159 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -90.18 1.52 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.0 mt 58.98 -91.61 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 O-C-N 124.126 0.891 . . . . 0.0 109.863 -172.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -145.91 58.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.203 0.525 . . . . 0.0 109.91 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 5.1 m-20 68.96 20.22 7.92 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.341 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.87 153.99 24.54 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.972 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.659 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 25.2 mm -128.07 152.42 36.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -101.43 132.4 47.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 111.125 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -131.88 165.46 23.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.705 -177.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.03 142.36 13.88 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.224 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.638 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.9 t -128.69 165.68 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -173.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' HG12 ' A' ' 15' ' ' VAL . 5.0 m-85 -132.43 135.92 46.4 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 171.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.579 HG13 ' CD2' ' A' ' 22' ' ' HIS . 4.2 pt -154.04 149.98 21.75 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.532 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 16.4 Cg_exo -66.89 -178.72 1.39 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.413 2.742 . . . . 0.0 114.694 -171.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -56.55 -60.89 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.884 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.54 -11.41 10.97 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 5.2 m95 -79.75 -56.53 4.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.697 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.5 m-70 -59.42 -36.37 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.105 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.06 -56.2 25.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.713 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.22 -35.66 58.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD22 HG11 ' A' ' 39' ' ' VAL . 29.9 mt -62.6 -51.87 65.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.802 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.683 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 63.3 mtm -67.31 -28.13 67.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.94 -48.51 71.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 109.922 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.85 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.82 -24.08 67.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.64 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HG3' ' O ' ' A' ' 26' ' ' MET . 88.6 mttt -79.4 -41.03 28.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 32' ' ' LYS . 14.4 tp10 -61.91 -56.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.731 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HD2' ' HG3' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -93.27 -2.17 55.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 t30 64.88 67.54 0.54 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.195 0.998 . . . . 0.0 110.618 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.676 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 67.2 mt -134.27 166.96 21.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.401 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.3 p -104.29 164.25 11.86 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -58.76 -36.41 74.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.788 ' HA ' HG22 ' B' ' 15' ' ' VAL . 8.0 m -59.14 -39.98 84.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.849 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 m-20 -61.77 -42.63 99.24 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.251 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.629 HG11 HD22 ' A' ' 25' ' ' LEU . 50.9 t -62.65 -39.14 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -176.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' B' ' 44' ' ' ILE . 14.7 m -68.31 -56.86 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.83 0.347 . . . . 0.0 111.286 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.673 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.6 OUTLIER -58.1 -35.63 71.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 175.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 89.0 mt -71.31 -23.66 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.845 -0.535 . . . . 0.0 110.197 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.54 -46.82 62.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.769 HG23 ' HA ' ' B' ' 40' ' ' CYS . 2.9 pt -68.83 -25.24 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.486 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.76 -48.67 80.76 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.136 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.57 -25.18 60.25 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 109.697 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 69.3 t80 -62.78 -47.13 84.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.218 174.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 82.3 mt -67.71 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.449 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.34 -39.78 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.654 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -80.58 -39.65 27.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -94.35 -29.02 15.23 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.892 -173.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 t70 60.76 -76.23 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.841 0.856 . . . . 0.0 112.553 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -141.94 -66.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 55.09 68.83 0.81 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -173.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -54.68 116.29 2.62 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.902 -167.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.602 172.673 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.447 ' HA ' ' HD2' ' B' ' 4' ' ' PRO . 17.1 tpp180 68.06 108.24 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.273 0 C-N-CA 123.359 0.663 . . . . 0.0 111.414 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.492 ' HG2' ' O ' ' B' ' 7' ' ' LEU . 19.4 Cg_endo -60.67 162.93 16.85 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.675 2.25 . . . . 0.0 111.614 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -81.38 -21.09 39.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.445 0.64 . . . . 0.0 109.521 -174.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -92.64 38.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.523 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' B' ' 4' ' ' PRO . 90.0 mt 59.51 -88.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.622 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.3 mt -145.76 47.92 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 66.71 20.59 10.68 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.824 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.0 140.98 6.74 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 11.6 mm -122.04 148.33 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.974 0.387 . . . . 0.0 110.01 -173.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.25 126.82 46.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 110.974 -172.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.446 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -133.62 167.24 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.627 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.89 125.19 2.32 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.865 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.788 HG22 ' HA ' ' A' ' 37' ' ' SER . 41.3 t -107.58 145.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -113.83 120.9 42.34 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.71 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.7 pt -142.43 155.43 64.17 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.116 -175.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 9' ' ' ASN . 65.1 Cg_exo -53.46 150.82 25.7 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.883 3.055 . . . . 0.0 113.587 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 2.9 pt20 -68.44 -30.1 68.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.779 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 25.1 mt-10 -55.67 -34.3 64.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.843 0.83 . . . . 0.0 110.08 174.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.71 ' HE3' HD12 ' B' ' 17' ' ' ILE . 28.0 m0 -75.52 -42.93 51.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.7 -1.137 . . . . 0.0 109.46 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.659 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 50.0 m80 -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.68 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.84 -51.82 68.01 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 120.93 0.395 . . . . 0.0 111.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.16 -42.16 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.015 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 44' ' ' ILE . 83.4 mt -66.07 -40.13 90.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.135 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.619 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 63.9 mtm -63.02 -37.92 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.69 -42.49 91.17 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.342 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.47 -34.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.552 0.691 . . . . 0.0 109.748 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.03 -28.84 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.465 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 26' ' ' MET . 85.3 mttt -78.8 -33.24 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.23 -46.0 89.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.051 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -95.61 -4.83 43.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 59.12 45.51 14.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.751 0.786 . . . . 0.0 110.063 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -133.99 170.89 14.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.269 -175.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -103.04 161.7 13.55 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.918 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.578 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.3 pt? -59.97 -29.08 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.4 m -57.76 -45.19 86.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.96 171.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.564 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 52.6 m-20 -65.98 -49.74 66.76 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.97 -33.9 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.728 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.769 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.9 t -65.89 -55.24 18.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.397 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 7.0 ppt_? -67.37 -27.51 67.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.2 -33.14 73.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.338 0.59 . . . . 0.0 109.847 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.43 -19.58 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.261 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 40' ' ' CYS . 64.3 mt -67.56 -40.9 85.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -57.92 -39.48 78.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.746 174.537 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.58 -43.38 76.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.292 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.23 -38.99 85.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.041 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.3 mt -67.34 -51.32 53.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.825 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -62.84 -26.77 68.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.42 -36.15 68.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.419 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -96.52 -3.88 42.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.525 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.62 -88.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.053 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -147.61 -61.09 0.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 70.1 107.23 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.081 0.863 . . . . 0.0 111.508 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -94.13 110.34 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 tttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.721 -174.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.09 68.79 2.33 Favored Pre-proline 0 N--CA 1.463 0.21 0 C-N-CA 122.414 0.286 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.505 ' HG2' HD13 ' A' ' 8' ' ' LEU . 41.5 Cg_exo -57.8 113.19 1.4 Allowed 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.513 2.142 . . . . 0.0 111.89 177.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 67.23 -75.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 124.058 0.849 . . . . 0.0 111.025 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.698 ' HE3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -112.49 -85.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.009 0.433 . . . . 0.0 110.189 174.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 tp -144.83 80.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 HD13 ' HG2' ' A' ' 4' ' ' PRO . 4.0 mm? 61.47 30.73 18.96 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 -178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 6' ' ' LYS . 17.9 m120 -86.44 112.14 21.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.344 0.593 . . . . 0.0 111.296 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.56 116.57 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 17.2 mm -108.76 150.77 11.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.404 -169.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 53.1 tptt -100.06 116.92 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -119.98 139.78 51.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.266 -179.027 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.01 120.02 6.52 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.103 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' B' ' 37' ' ' SER . 35.4 t -104.91 157.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.03 118.59 25.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' HB ' ' CE3' ' A' ' 21' ' ' TRP . 28.2 pt -130.62 145.73 58.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.696 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 51.1 Cg_exo -56.09 153.38 32.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.61 2.873 . . . . 0.0 112.08 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.606 ' HG2' ' ND2' ' B' ' 9' ' ' ASN . 27.4 pt20 -74.57 -40.35 61.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CD ' HD22 ' B' ' 9' ' ' ASN . 1.3 pm0 -63.32 -35.57 80.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.502 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.117 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 26.8 t90 -83.0 -27.05 30.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.959 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' MET . 73.6 t60 -63.91 -51.34 64.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.7 172.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.61 -43.22 97.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.074 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -72.73 -36.54 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.321 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' TRP . 3.9 mm? -67.69 -31.69 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.542 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 86.1 mtp -64.98 -40.14 94.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.339 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.377 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.39 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.322 0.582 . . . . 0.0 109.696 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.62 -30.39 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.847 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.32 -37.0 60.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.403 0.62 . . . . 0.0 109.485 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -65.63 -42.72 91.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.322 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -2.6 47.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m120 66.2 53.19 1.07 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.582 0.706 . . . . 0.0 111.174 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 91.6 mt -134.37 167.67 20.31 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.276 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.0 p -103.95 165.61 10.93 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.1 pt? -56.24 -37.97 70.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 109.975 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.777 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.6 m -58.33 -44.1 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.722 174.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.3 m-20 -63.1 -50.0 72.22 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.89 -35.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.562 0.22 . . . . 0.0 111.117 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.82 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 3.6 t -68.28 -50.43 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.232 0.539 . . . . 0.0 110.198 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.994 ' HG3' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -55.53 -47.56 76.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 172.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.5 mt -68.02 -18.22 64.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.363 . . . . 0.0 110.28 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.569 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -70.43 -36.41 73.97 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.595 174.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 20.6 mt -66.75 -40.61 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.19 -41.56 88.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.6 -33.8 71.45 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.669 0.747 . . . . 0.0 109.033 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.98 -48.63 78.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.625 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 77.1 mt -68.66 -46.51 68.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.011 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.85 -49.43 75.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.792 -173.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.76 -17.03 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.145 -173.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -91.15 -38.72 12.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 109.819 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -93.64 82.65 4.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.15 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -77.66 -56.94 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.784 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.64 -175.53 0.13 Allowed 'General case' 0 C--O 1.237 0.439 0 O-C-N 123.507 0.504 . . . . 0.0 110.742 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 62.67 43.74 7.2 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 168.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.935 174.767 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 CA-C-O 120.095 -0.28 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 59.9 91.09 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 111.75 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.475 ' HG2' HD13 ' B' ' 8' ' ' LEU . 15.1 Cg_exo -68.56 82.82 0.53 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.82 2.347 . . . . 0.0 111.085 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 18' ' ' PRO . 85.3 m-85 67.76 -71.05 0.11 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.1 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -140.5 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.4 tp -144.94 66.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.765 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.475 HD13 ' HG2' ' B' ' 4' ' ' PRO . 4.1 mm? 59.3 58.71 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.038 -177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.606 ' ND2' ' HG2' ' A' ' 19' ' ' GLN . 2.9 m-20 -82.93 100.63 10.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.23 104.88 0.23 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.417 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mm -104.09 152.94 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -99.47 121.07 40.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.889 0.376 . . . . 0.0 110.589 -173.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -132.97 135.23 45.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.528 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -104.56 119.23 6.18 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.336 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 37' ' ' SER . 42.0 t -103.92 152.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 4.2 m-85 -117.26 119.13 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.781 175.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.994 HG22 ' HG3' ' A' ' 41' ' ' ARG . 17.5 pt -135.23 147.7 63.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.576 ' HB2' ' HG2' ' B' ' 20' ' ' GLU . 17.9 Cg_endo -59.43 160.83 18.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.608 2.872 . . . . 0.0 113.145 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.17 -30.32 70.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.028 -177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.576 ' HG2' ' HB2' ' B' ' 18' ' ' PRO . 4.9 pt-20 -60.78 -26.11 67.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 111.028 175.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.605 ' HE3' HD12 ' B' ' 17' ' ' ILE . 8.2 m0 -78.78 -44.0 24.19 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' B' ' 26' ' ' MET . 14.5 m-70 -59.6 -36.54 76.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.785 0.326 . . . . 0.0 110.398 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.64 -60.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.48 -47.68 31.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.856 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.4 mm? -64.22 -52.64 57.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -175.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 87.0 mtp -66.69 -28.62 68.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.0 -40.88 87.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.232 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.49 -40.22 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.689 . . . . 0.0 109.633 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.34 -25.11 67.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.997 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.33 -40.23 51.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.404 0.621 . . . . 0.0 109.331 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.86 -44.41 93.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.973 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.05 -3.7 55.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.281 -173.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m120 64.39 48.18 2.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 86.9 mt -124.05 166.19 16.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.876 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -104.47 157.74 16.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.4 pt? -59.88 -29.02 68.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.442 . . . . 0.0 109.914 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 15' ' ' VAL . 16.6 m -58.74 -44.66 90.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.658 173.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 55.4 m-20 -63.62 -42.41 98.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.007 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.27 -39.65 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.0 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' CYS . . . . . 0.82 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -63.18 -57.98 8.71 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.945 0.402 . . . . 0.0 110.146 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 1.117 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.549 0.74 . . . . 0.0 112.169 173.276 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.4 mt -64.89 -28.52 69.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 0.0 110.571 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -73.73 -23.9 59.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.125 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.715 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 22.5 mt -70.53 -34.02 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.8 -41.78 91.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.975 173.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 50' ' ' ASN . 5.2 tp10 -67.42 -34.93 78.25 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.97 -41.97 93.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.655 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.71 -58.62 3.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.64 -29.84 68.31 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 46' ' ' GLU . 17.2 t-20 -80.56 -32.82 36.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.804 0.335 . . . . 0.0 111.234 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.76 -10.87 35.43 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.225 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -139.61 96.32 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 109.747 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -46.8 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.422 -172.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 59.54 -161.76 0.26 Allowed 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.599 0.562 . . . . 0.0 111.249 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 73.31 66.27 0.1 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.036 -0.983 . . . . 0.0 112.051 169.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.141 173.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.62 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.3 mm . . . . . 0 C--O 1.237 0.402 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' B' ' 16' ' ' TYR . 20.5 tptm -99.45 132.44 44.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 111.917 -168.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -130.3 135.26 47.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.519 175.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 109.22 3.44 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.707 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 12.7 t -104.08 146.68 11.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.655 0.264 . . . . 0.0 110.397 -174.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 6.4 m-85 -127.55 120.0 27.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.219 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HE3' ' A' ' 21' ' ' TRP . 26.3 pt -129.12 161.23 59.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.587 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.36 156.29 22.0 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.779 2.319 . . . . 0.0 112.886 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 8.4 mm-40 -60.22 -19.76 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.704 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -81.6 -51.63 8.03 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -58.2 -37.09 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.738 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.42 -56.52 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.235 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 67.8 mmt-85 -74.19 -34.29 63.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 110.489 -173.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.59 -46.82 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.9 mmm -65.86 -28.66 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.75 -52.27 57.89 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.334 0.588 . . . . 0.0 109.576 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.75 -32.88 57.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -27.55 69.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.552 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 26' ' ' MET . 34.3 mmtp -75.95 -37.1 58.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.69 -33.85 76.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.823 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.2 -4.39 42.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 62.23 38.89 13.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.148 0.975 . . . . 0.0 110.297 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.609 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 97.1 mt -130.77 169.87 15.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.598 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -104.85 161.66 13.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.4 pt? -58.89 -31.32 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.052 0.387 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.587 ' HA ' HG22 ' B' ' 15' ' ' VAL . 19.0 m -56.81 -41.39 77.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.618 176.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 m-20 -66.44 -42.43 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.778 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.4 -36.11 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.933 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 1.6 t -65.78 -51.94 55.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 3.8 tmt_? -48.98 -46.37 43.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.589 169.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 95.6 mt -66.52 -25.9 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.408 . . . . 0.0 111.067 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' B' ' 43' ' ' ALA . . . -70.25 -49.07 53.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.09 -177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.8 pt -69.03 -28.53 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.813 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HD3' ' HZ2' ' B' ' 21' ' ' TRP . 26.2 tptp -59.31 -49.59 77.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.235 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.79 -25.74 59.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 71.0 t80 -61.78 -44.19 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.753 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 92.3 mt -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.58 -27.61 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.11 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 35.4 mm -110.98 151.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 20.0 tptm -99.59 122.62 42.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.413 0.625 . . . . 0.0 110.952 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.707 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -131.03 132.12 44.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.155 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -103.7 120.83 6.85 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.54 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.1 t -104.76 151.54 7.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 11.4 m-85 -128.05 113.47 15.84 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.774 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.2 pt -133.61 155.41 80.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.35 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.8 158.1 34.82 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 123.679 2.919 . . . . 0.0 113.682 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HA ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -70.34 -22.02 62.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.117 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 5.5 mm-40 -50.44 -44.12 55.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.53 0.681 . . . . 0.0 110.165 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.774 ' HE3' HD12 ' B' ' 17' ' ' ILE . 42.1 m0 -77.6 -33.74 53.67 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.38 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.62 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 21.6 m-70 -60.65 -38.43 84.83 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.536 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' B' ' 24' ' ' ARG . 10.2 t70 -60.48 -61.18 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.473 . . . . 0.0 110.835 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 13.9 mmt180 -72.46 -51.48 19.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -170.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.2 mm? -65.57 -44.84 85.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.375 -173.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 91.5 mmm -67.06 -30.46 70.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.028 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.28 -39.7 89.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.599 0.714 . . . . 0.0 109.704 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.14 -35.46 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.665 0.745 . . . . 0.0 109.063 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.92 -16.65 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.662 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 26' ' ' MET . 28.2 mmtp -78.29 -50.74 11.28 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 174.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.8 -37.95 80.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -91.67 -14.58 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.704 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.27 54.2 3.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.845 0.831 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.682 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.2 mt -135.22 168.92 18.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.632 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -103.99 156.22 18.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 17' ' ' ILE . 2.7 pt? -60.31 -29.19 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 15' ' ' VAL . 9.4 m -57.31 -42.16 81.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.271 174.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 38.5 m-20 -64.96 -47.06 78.96 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.708 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.54 -38.58 82.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.364 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.612 ' HA ' HG23 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.88 -51.73 63.2 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.417 0.627 . . . . 0.0 109.513 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.639 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.32 -49.35 67.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.919 0.888 . . . . 0.0 111.971 171.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 97.2 mt -64.28 -32.01 73.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.204 0.526 . . . . 0.0 110.429 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.443 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -73.37 -23.25 60.16 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.535 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 40.5 mt -68.54 -44.16 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -60.02 -33.71 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.169 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.55 -44.28 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.258 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.453 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 64.7 t80 -60.85 -40.23 92.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.272 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 88.5 mt -65.87 -50.47 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.78 -34.3 76.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -173.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -77.6 -24.69 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.146 -0.346 . . . . 0.0 111.763 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 66.3 m-70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.522 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 12.0 mm . . . . . 0 C--O 1.234 0.258 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -99.99 130.57 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 111.512 -174.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.479 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.7 122.65 7.58 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.499 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.79 HG22 ' HB3' ' B' ' 37' ' ' SER . 6.4 t -112.26 163.68 8.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.63 128.16 30.62 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.944 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 10' ' ' GLY . 4.8 pt -150.81 153.64 33.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.942 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 40.7 Cg_exo -58.35 162.02 12.94 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.594 2.863 . . . . 0.0 113.567 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.464 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.86 -19.7 62.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 8.4 m95 -79.19 -48.36 14.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 1.064 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -61.21 -33.97 74.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.73 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.09 -53.83 53.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.373 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -73.36 -30.71 63.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.839 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB2' ' A' ' 36' ' ' LEU . 70.9 mt -63.81 -51.18 65.92 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.17 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.77 -56.72 14.95 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.293 0.568 . . . . 0.0 109.994 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 72.4 mt -63.2 -42.91 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.68 -22.11 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.434 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 34.1 ttpt -78.3 -51.4 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.218 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.95 -38.98 93.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 4.3 mptp? -93.16 -4.34 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -171.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 62.73 61.16 1.21 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 122.014 0.911 . . . . 0.0 110.043 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.3 mt -135.54 166.82 22.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.701 HG22 HD23 ' A' ' 36' ' ' LEU . 1.3 m -109.78 158.47 18.11 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.97 -36.62 75.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.135 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.973 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.4 p -58.55 -43.11 89.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.639 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.5 m-20 -64.68 -45.47 86.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.85 -32.03 55.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.68 0.276 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 2.6 t -69.06 -56.13 8.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.804 0.335 . . . . 0.0 110.639 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.652 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.6 ppt_? -59.04 -35.58 73.56 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.987 -0.445 . . . . 0.0 112.165 173.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.1 mt -68.06 -23.28 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.661 -0.649 . . . . 0.0 109.545 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.53 -31.55 65.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.548 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.818 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 29.0 mm -64.61 -49.2 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.6 -36.17 73.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.553 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' CD2' ' B' ' 47' ' ' TYR . 5.7 tp10 -71.53 -39.05 70.98 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.631 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 63.0 t80 -62.93 -47.47 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.289 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.6 mt -66.28 -50.87 62.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.0 -40.18 90.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.434 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.285 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . . . . . . 0 N--CA 1.441 -0.999 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 1.064 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 26.5 mm -104.76 149.96 7.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.13 128.86 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 0.0 110.276 -173.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -132.07 165.76 23.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.687 -177.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -140.31 122.11 2.11 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.243 -0.979 . . . . 0.0 111.987 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.973 HG22 ' HA ' ' A' ' 37' ' ' SER . 40.4 t -104.74 144.88 13.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.13 119.04 37.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.627 HD12 ' HE3' ' B' ' 21' ' ' TRP . 39.1 pt -142.11 154.67 64.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.43 170.2 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 124.105 3.203 . . . . 0.0 114.103 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -80.72 -36.51 32.02 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.715 -175.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 3.9 pm0 -61.27 -21.74 64.2 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.435 0.635 . . . . 0.0 110.026 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.818 ' CH2' ' HB ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -79.6 -47.16 15.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.987 177.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.536 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-70 -57.98 -37.99 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.96 -55.51 33.97 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.29 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 12.3 mpt_? -74.96 -35.92 62.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.523 HD23 HD12 ' B' ' 28' ' ' ILE . 59.1 mt -67.95 -34.39 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.5 mtt -66.71 -33.32 75.39 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.041 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.61 -40.82 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.523 HD12 HD23 ' B' ' 25' ' ' LEU . 82.4 mt -65.91 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.59 174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.023 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -84.1 -58.25 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.805 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.479 ' HB3' ' HD2' ' B' ' 32' ' ' LYS . 27.9 tt0 -62.3 -42.49 99.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.893 -173.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' HB3' ' B' ' 31' ' ' GLU . 2.5 mptp? -95.5 -8.33 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.153 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 61.27 53.71 3.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.725 0.774 . . . . 0.0 110.592 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -128.82 169.33 14.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.706 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -104.58 153.81 20.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -58.6 -33.54 70.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.004 0.431 . . . . 0.0 110.605 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.79 ' HB3' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -57.59 -40.6 79.41 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.927 173.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 48.9 m-20 -65.07 -50.29 66.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.66 -38.15 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.636 ' SG ' HG12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -65.33 -60.43 2.99 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.762 0.315 . . . . 0.0 110.531 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.591 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 2.5 ppt_? -63.31 -33.61 75.89 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 41' ' ' ARG . 80.5 mt -68.05 -31.43 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.357 0.599 . . . . 0.0 109.696 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.3 -24.18 62.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.278 176.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 57.7 mt -66.96 -42.99 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -55.8 -48.7 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -71.81 -27.58 63.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.077 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.616 ' CD2' ' HG2' ' A' ' 46' ' ' GLU . 62.9 t80 -62.03 -45.91 91.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.422 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 38.8 mt -69.6 -51.14 37.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.747 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -59.54 -38.43 81.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.403 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -80.99 -19.28 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . 0.588 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 49.4 m170 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.313 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.234 0.274 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB2' ' HE1' ' B' ' 16' ' ' TYR . 5.0 tppp? -100.32 130.02 46.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.322 0.582 . . . . 0.0 110.83 -171.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD13 ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.526 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.3 104.81 2.68 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.698 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' B' ' 37' ' ' SER . 13.1 t -104.23 158.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -132.57 133.71 44.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.297 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.7 pt -136.21 150.4 70.85 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.96 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 71.8 Cg_exo -51.73 147.44 24.46 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.453 2.769 . . . . 0.0 113.013 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.49 ' HG2' HD11 ' B' ' 11' ' ' ILE . 0.5 OUTLIER -57.75 -56.23 24.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.96 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 13.5 mm-40 -58.43 -27.84 64.71 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.96 ' HE3' ' HD2' ' A' ' 18' ' ' PRO . 21.1 t90 -82.42 -37.2 25.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.54 ' O ' ' HG3' ' A' ' 26' ' ' MET . 59.2 t-80 -62.11 -40.07 94.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.801 172.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 27.1 t70 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.899 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 11.3 mpt_? -75.73 -27.91 58.34 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.754 0.312 . . . . 0.0 110.267 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.71 -36.33 83.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.268 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 61.1 mtm -64.56 -42.21 95.81 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.304 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.02 -46.12 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.01 -35.72 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.254 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.95 -38.19 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.396 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.45 -30.83 53.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 110.47 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.98 -41.38 97.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -95.72 -4.46 44.1 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 62.81 44.76 6.12 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.56 0.695 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.2 mt -130.83 168.95 16.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.238 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.6 p -103.26 159.25 15.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.643 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.4 pt? -59.12 -32.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.108 0.48 . . . . 0.0 110.119 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.85 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.3 m -57.48 -41.16 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.692 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.3 m-20 -64.75 -45.74 85.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.52 -31.73 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.992 ' HG ' ' CB ' ' B' ' 40' ' ' CYS . 4.9 t -68.38 -57.19 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.887 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.1 -29.95 70.06 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.021 -0.425 . . . . 0.0 112.114 174.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 70.5 mt -72.54 -22.23 61.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 110.495 174.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -71.02 -44.77 65.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.208 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.658 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 2.6 pt -69.64 -26.2 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.347 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.21 -40.88 95.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 5.7 tp10 -69.62 -37.69 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.681 0.753 . . . . 0.0 108.991 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -62.6 -49.95 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.549 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.7 mt -68.3 -59.39 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.06 -12.82 21.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.379 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.7 t-20 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 122.272 -0.268 . . . . 0.0 110.511 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.693 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 22' ' ' HIS . 22.1 mm -106.62 156.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.71 127.96 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 110.268 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.85 ' HB3' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -134.12 128.55 34.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.836 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.31 120.38 6.73 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.753 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.85 HG22 ' HA ' ' A' ' 37' ' ' SER . 46.4 t -103.4 155.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.435 ' HE1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -133.2 113.17 12.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.559 0.219 . . . . 0.0 110.563 -174.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' B' ' 18' ' ' PRO . 7.3 pt -141.94 145.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.519 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' B' ' 21' ' ' TRP . 4.6 Cg_exo -77.0 -175.14 2.49 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.807 3.005 . . . . 0.0 115.107 -169.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.646 ' HG2' ' N ' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -51.13 -55.72 16.36 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.466 -178.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.646 ' N ' ' HG2' ' B' ' 19' ' ' GLN . 6.2 mm-40 -48.27 -36.1 13.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.224 0.61 . . . . 0.0 111.897 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.498 ' CD1' ' HD2' ' B' ' 18' ' ' PRO . 16.4 m95 -74.98 -54.87 6.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.421 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' B' ' 26' ' ' MET . 15.3 m-70 -58.67 -39.95 82.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.132 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.84 -55.2 38.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 111.178 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 10.1 mpt_? -73.45 -37.18 65.92 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.453 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 68.8 mt -64.51 -45.39 87.44 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.736 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 57.8 mtm -63.13 -33.9 76.45 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.92 -48.44 80.41 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.025 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.35 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 0.0 109.672 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.94 -25.74 68.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.86 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.736 ' HG3' ' O ' ' B' ' 26' ' ' MET . 81.7 mttt -79.29 -45.73 19.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.4 -36.87 83.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.086 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.14 -4.16 46.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.35 39.66 18.47 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.152 0.501 . . . . 0.0 111.97 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.612 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -120.1 167.12 12.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.114 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 79.7 p -106.95 150.28 26.62 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 166.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.674 ' CD1' HD13 ' A' ' 13' ' ' LEU . 3.5 pp -63.95 -23.25 67.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 -175.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.757 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.5 m -59.26 -47.36 85.64 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 109.84 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -63.9 -46.75 83.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.694 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.35 -34.06 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.992 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -64.13 -61.72 2.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.409 -179.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.741 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.74 -33.51 73.03 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 64.4 mt -67.27 -33.26 74.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.046 0.451 . . . . 0.0 110.111 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.45 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -74.79 -21.16 59.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.091 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.926 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 49.3 mt -68.72 -39.93 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -56.72 -46.7 81.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.021 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' ASP . 0.4 OUTLIER -70.88 -30.5 66.88 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 178.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -61.55 -44.39 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.282 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.7 mt -68.87 -44.12 73.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.853 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' B' ' 46' ' ' GLU . 38.2 t70 -61.3 -29.77 70.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.382 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -35.88 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.821 0.344 . . . . 0.0 110.892 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.9 m170 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.38 -171.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.872 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 26.9 mm . . . . . 0 C--O 1.239 0.504 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.12 139.01 37.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 -172.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.9 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -127.86 154.25 45.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.294 0.568 . . . . 0.0 112.095 -172.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 118.79 6.01 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.134 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.554 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 16.4 t -112.24 161.73 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' ILE . 30.2 m-85 -135.94 144.98 45.74 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 21' ' ' TRP . 1.8 pt -155.94 149.79 19.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.388 170.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 89.1 Cg_exo -49.51 165.98 0.23 Allowed 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 124.021 3.147 . . . . 0.0 114.951 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -56.92 -42.82 80.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.752 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 37.0 mt-10 -57.06 -26.35 60.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.267 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 17' ' ' ILE . 20.2 m95 -79.95 -45.03 19.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.202 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 14.2 m-70 -65.61 -43.22 90.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.4 -49.19 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.115 0.483 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 6.6 mpt_? -74.52 -41.61 60.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 17.1 mt -65.7 -33.11 75.12 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.184 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.604 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 2.8 mmt -62.68 -45.72 91.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.664 0.269 . . . . 0.0 110.78 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.71 -45.19 75.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.604 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 89.8 mt -63.3 -39.42 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.947 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.44 -25.99 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -74.85 -39.61 61.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.525 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.67 -39.88 95.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.227 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 3.6 mptp? -95.06 -5.47 44.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.73 51.13 4.02 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.893 0.854 . . . . 0.0 110.193 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.4 mt -135.46 168.47 19.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.185 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.6 p -104.1 161.97 13.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD12 HD13 ' B' ' 13' ' ' LEU . 2.1 pt? -58.7 -36.39 74.15 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.548 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.949 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.7 m -57.75 -43.97 85.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 174.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 53.7 m-20 -64.73 -48.59 74.05 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.33 -35.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.667 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 1.1 t -69.84 -52.31 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.4 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.686 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 0.2 OUTLIER -59.13 -39.03 81.07 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.992 -0.442 . . . . 0.0 111.497 174.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.0 mt -66.67 -29.52 69.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.51 0.671 . . . . 0.0 109.699 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.34 63.76 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.424 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.716 HG21 HD11 ' B' ' 25' ' ' LEU . 36.4 mt -68.55 -39.79 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -59.55 -39.71 84.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.86 -37.58 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.728 0.775 . . . . 0.0 109.254 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.71 -45.29 93.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.447 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 HD21 ' B' ' 25' ' ' LEU . 88.8 mt -65.26 -50.64 64.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.639 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -32.83 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.383 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.611 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mm -109.63 157.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -166.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -99.33 131.16 45.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.206 0.527 . . . . 0.0 110.247 -169.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -130.32 138.36 50.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.062 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.58 112.07 4.09 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.936 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 37' ' ' SER . 47.9 t -104.24 142.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.96 124.16 50.96 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.701 HD12 ' HE3' ' B' ' 21' ' ' TRP . 15.1 pt -140.22 151.43 64.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.889 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.9 Cg_exo -61.96 159.73 32.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.729 2.953 . . . . 0.0 112.919 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -20.09 60.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.05 -33.57 69.15 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 109.508 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.701 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -80.29 -41.65 24.55 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.798 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.872 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.6 m-70 -57.09 -42.71 81.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.623 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.58 -62.87 1.55 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.508 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -72.49 -50.18 27.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' ILE . 91.1 mt -66.72 -43.21 84.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.647 -174.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 88.5 mtp -68.53 -23.91 64.58 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.436 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.44 -40.89 93.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 170.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' OE2' ' B' ' 31' ' ' GLU . 70.8 mt -65.55 -38.85 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 176.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.9 -25.8 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.579 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -78.31 -34.8 48.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.121 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 28' ' ' ILE . 40.7 mt-10 -64.96 -48.0 75.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.399 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 3.3 mptp? -94.92 -3.42 48.68 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.6 57.93 0.84 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.143 0.973 . . . . 0.0 110.028 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -133.77 168.56 18.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.416 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -103.43 160.86 14.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -60.02 -31.63 70.13 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.031 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.7 m -56.89 -40.86 77.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.284 174.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 34.7 m-20 -64.14 -40.19 95.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.266 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.2 -39.61 84.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.033 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.492 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 1.7 t -67.21 -58.35 5.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.742 0.306 . . . . 0.0 110.483 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -31.03 67.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 68.4 mt -72.07 -24.37 61.5 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.72 63.45 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.437 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 1.8 pt -70.37 -32.97 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.16 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -59.54 -41.32 89.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.188 0.518 . . . . 0.0 109.695 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.69 -38.68 77.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -62.61 -41.83 99.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.291 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.5 mt -63.98 -54.06 40.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.444 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -41.09 78.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.81 -26.49 44.3 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 111.662 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 0.0 111.074 178.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.654 HD11 ' OE1' ' B' ' 19' ' ' GLN . 4.3 mp . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -100.16 126.61 46.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.239 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.818 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -125.67 166.6 16.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.682 -175.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.15 147.22 19.11 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.737 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' B' ' 37' ' ' SER . 11.6 t -133.15 164.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -175.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.9 m-85 -131.36 135.16 46.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.27 0.228 . . . . 0.0 110.668 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD21 ' B' ' 13' ' ' LEU . 4.5 pt -151.44 151.01 28.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.031 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 24.3 Cg_endo -64.42 172.82 6.03 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 123.237 2.625 . . . . 0.0 114.186 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.82 -36.38 76.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.215 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.8 mm-40 -55.19 -33.28 62.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 111.394 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.502 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.8 m95 -78.72 -50.76 10.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 38.9 m-70 -59.74 -36.64 77.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.229 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.49 -59.02 5.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.406 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.1 mpt_? -75.58 -42.97 50.69 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.658 -173.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.96 -50.97 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.002 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.724 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 88.7 mmm -66.94 -24.94 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.973 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.1 -46.73 82.94 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.535 0.683 . . . . 0.0 109.441 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -62.73 -37.3 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.79 -22.73 67.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.669 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 26' ' ' MET . 89.8 mttt -76.38 -45.53 31.41 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.23 -43.2 96.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.988 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -3.86 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -174.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 m120 63.34 57.99 1.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.297 0.57 . . . . 0.0 111.292 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.4 mt -133.28 166.52 22.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.266 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 p -108.09 157.79 17.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 170.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -60.71 -23.92 65.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.234 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.021 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.8 m -59.93 -48.73 80.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.164 170.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.3 m-20 -64.43 -46.09 84.72 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.046 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.74 -31.79 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 3.0 t -69.46 -49.5 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.909 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -65.7 -31.61 72.71 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.276 -0.265 . . . . 0.0 111.301 173.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 94.2 mt -68.88 -25.52 64.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 109.666 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.83 -49.77 42.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.645 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.759 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 1.3 pt -68.29 -22.05 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.559 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 42' ' ' LEU . 85.6 tttt -58.0 -55.83 29.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.37 173.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.82 -24.25 58.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.25 0.548 . . . . 0.0 109.543 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 80.1 t80 -61.33 -43.0 99.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.207 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.7 mt -66.71 -54.04 27.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.623 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.09 -21.0 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.664 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.404 -0.185 . . . . 0.0 111.149 -175.432 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.443 -0.892 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.653 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 mp -119.0 148.04 22.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -172.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -99.61 123.6 44.03 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 110.596 -170.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.693 HD21 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -123.21 165.27 17.18 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.448 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.488 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -142.74 120.48 1.57 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.121 -1.037 . . . . 0.0 112.472 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 1.021 HG22 ' HA ' ' A' ' 37' ' ' SER . 39.3 t -105.12 155.96 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.39 122.8 26.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 13' ' ' LEU . 37.3 pt -142.11 152.12 60.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.721 0.296 . . . . 0.0 111.193 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.796 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 28.7 Cg_endo -62.96 163.46 22.29 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.848 3.032 . . . . 0.0 114.474 -174.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.654 ' OE1' HD11 ' A' ' 11' ' ' ILE . 40.9 tp60 -62.94 -42.84 99.94 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.283 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 6.6 mm-40 -50.86 -40.92 57.41 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.917 0.865 . . . . 0.0 110.766 177.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.796 ' HE3' ' HD2' ' B' ' 18' ' ' PRO . 3.7 t90 -80.19 -30.55 38.77 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.257 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 2.6 m-70 -66.59 -49.52 66.08 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.374 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.33 -48.54 68.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.739 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 9.9 mpt_? -74.01 -47.29 38.08 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.394 -176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.655 HD12 HG11 ' B' ' 39' ' ' VAL . 4.5 mm? -66.99 -40.18 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.478 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.569 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 94.8 mmm -65.41 -28.98 69.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.2 -45.8 91.74 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.684 0.754 . . . . 0.0 109.071 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.76 -37.14 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.906 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.44 -24.78 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.541 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' B' ' 26' ' ' MET . 89.1 mttt -76.83 -56.93 4.16 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.467 ' C ' ' HE2' ' B' ' 32' ' ' LYS . 6.2 mm-40 -61.62 -31.67 71.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.793 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.467 ' HE2' ' C ' ' B' ' 31' ' ' GLU . 1.0 OUTLIER -95.39 -4.73 44.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.36 37.97 19.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.107 0.479 . . . . 0.0 111.433 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.401 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -111.03 166.47 11.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.08 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 39' ' ' VAL . 40.0 p -104.89 158.09 16.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.818 HD12 HD13 ' A' ' 13' ' ' LEU . 2.2 pt? -56.58 -37.89 71.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.991 0.424 . . . . 0.0 110.054 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.51 ' HA ' HG22 ' A' ' 15' ' ' VAL . 7.3 m -55.2 -47.52 75.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.85 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.434 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 40.5 m-20 -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.339 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG11 HD12 ' B' ' 25' ' ' LEU . 61.8 t -61.68 -43.23 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.358 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.581 ' HA ' HG23 ' A' ' 44' ' ' ILE . 14.1 m -66.54 -54.57 22.24 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.091 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 6.4 ppt_? -62.13 -34.4 76.27 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.36 -31.9 72.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.509 0.671 . . . . 0.0 109.634 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.19 -20.96 60.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.707 176.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 59.4 mt -66.05 -45.3 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 87.6 tttt -59.67 -36.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.329 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -68.42 -41.15 80.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.391 0.615 . . . . 0.0 109.656 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -63.81 -42.59 97.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.998 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.8 mt -66.91 -44.47 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.471 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' B' ' 45' ' ' LYS . 9.9 t70 -55.97 -43.31 77.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.962 -173.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -76.96 -28.73 55.28 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' B' ' 48' ' ' LEU . 4.2 p80 . . . . . 0 C--N 1.33 -0.257 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.829 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp . . . . . 0 C--O 1.236 0.345 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.77 ' HD3' ' CE1' ' B' ' 16' ' ' TYR . 26.9 tptp -98.63 123.61 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -171.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -131.22 165.46 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.027 178.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 119.48 2.05 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' B' ' 37' ' ' SER . 46.3 t -103.16 155.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.062 ' CD1' ' HD3' ' B' ' 12' ' ' LYS . 4.2 t80 -128.89 120.21 25.78 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.794 HG12 HD21 ' B' ' 13' ' ' LEU . 24.6 pt -138.63 153.48 72.38 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.628 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.892 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 32.3 Cg_exo -59.71 167.97 6.1 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.553 2.835 . . . . 0.0 114.466 -174.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 1.056 ' NE2' HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -68.92 -40.74 78.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.545 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.5 mp0 -53.06 -37.23 61.45 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.806 0.812 . . . . 0.0 109.823 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.807 ' CZ3' ' HG2' ' B' ' 41' ' ' ARG . 10.1 m0 -73.22 -58.48 3.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.187 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.857 ' CB ' HD13 ' B' ' 11' ' ' ILE . 10.7 t-80 -51.9 -43.12 63.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.065 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.83 -55.46 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.67 -31.72 65.28 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 111.078 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 21' ' ' TRP . 4.0 mm? -66.77 -41.75 87.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 92.9 mmm -64.53 -30.19 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.18 -46.14 82.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.219 0.533 . . . . 0.0 109.854 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.69 -35.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.006 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.76 79.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.394 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' MET . 45.2 mttp -79.42 -43.27 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.061 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.74 -42.64 97.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.518 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -94.5 -3.81 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 62.65 51.63 3.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.761 0.791 . . . . 0.0 110.4 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.16 168.93 18.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.568 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.57 151.16 22.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.941 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -58.05 -28.13 64.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.668 0.27 . . . . 0.0 110.905 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.837 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.1 p -59.39 -47.42 85.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.084 0.468 . . . . 0.0 110.64 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.595 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 45.7 m-20 -63.75 -41.74 97.96 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.647 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.8 -37.49 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 3.5 t -67.75 -48.49 66.25 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 109.968 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.839 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 2.3 tmt_? -49.56 -50.62 41.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.581 0.752 . . . . 0.0 111.13 169.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.9 mt -67.31 -24.63 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.973 0.416 . . . . 0.0 110.732 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -69.3 -36.64 77.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.515 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.017 ' HB ' ' HZ2' ' B' ' 21' ' ' TRP . 19.7 mt -69.91 -34.9 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -46.69 84.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.335 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.59 -25.99 59.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.398 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.658 HD21 HD21 ' B' ' 25' ' ' LEU . 80.8 mt -68.83 -46.56 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.204 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.42 -29.8 70.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.045 -177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.642 HD22 ' CD ' ' B' ' 46' ' ' GLU . 53.1 t30 . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.109 0.481 . . . . 0.0 110.712 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.892 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 1.056 HD11 ' NE2' ' A' ' 19' ' ' GLN . 4.4 mp -129.05 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 1.062 ' HD3' ' CD1' ' A' ' 16' ' ' TYR . 17.2 tptp -100.92 134.7 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.941 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.36 140.06 47.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -176.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -102.95 116.1 5.37 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.058 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 37' ' ' SER . 23.2 t -107.78 162.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.77 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 3.2 m-85 -131.87 130.02 41.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.777 0.322 . . . . 0.0 110.754 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.529 HG12 HD22 ' A' ' 13' ' ' LEU . 39.5 pt -139.74 140.44 24.78 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -176.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.892 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 43.8 Cg_exo -59.53 161.07 18.4 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 123.869 3.046 . . . . 0.0 113.413 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -80.43 -33.24 37.04 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.94 -172.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 1.3 mp0 -59.21 -35.24 73.26 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 122.618 1.199 . . . . 0.0 109.35 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 1.017 ' HZ2' ' HB ' ' A' ' 44' ' ' ILE . 10.8 t90 -79.26 -25.57 42.53 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.516 -1.674 . . . . 0.0 108.397 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' B' ' 26' ' ' MET . 3.3 m-70 -65.06 -44.46 88.9 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.312 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' B' ' 20' ' ' GLU . 16.7 m-20 -50.82 -57.8 7.52 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.068 0.461 . . . . 0.0 110.285 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' B' ' 24' ' ' ARG . 7.2 mpt_? -73.62 -52.3 13.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.687 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.74 HD12 HG11 ' B' ' 39' ' ' VAL . 3.5 mm? -67.92 -44.18 77.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.705 ' SD ' ' HB3' ' B' ' 36' ' ' LEU . 80.6 mmm -67.67 -25.59 65.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.887 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -65.7 -40.41 92.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.567 171.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.11 -37.85 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.645 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.92 -27.77 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.501 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 26' ' ' MET . 61.2 mttp -78.43 -44.19 25.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.126 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.36 -39.75 95.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.24 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -95.93 -3.17 45.72 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.6 49.11 2.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.361 0.6 . . . . 0.0 111.272 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.458 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 77.9 mt -124.53 166.1 16.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.221 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 39' ' ' VAL . 81.9 p -110.59 162.85 14.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 172.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.4 pt? -55.77 -38.15 69.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.916 0.388 . . . . 0.0 110.493 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.857 ' HA ' HG22 ' A' ' 15' ' ' VAL . 4.8 m -56.94 -47.32 80.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.472 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 68.8 m-20 -64.67 -43.59 93.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.609 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.74 HG11 HD12 ' B' ' 25' ' ' LEU . 69.7 t -63.61 -38.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.552 -176.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.05 -53.61 47.1 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.807 ' HG2' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -49.09 -50.23 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.281 171.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.0 mt -64.61 -27.93 69.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.315 0.578 . . . . 0.0 110.578 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.543 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -71.31 -32.99 69.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.104 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 28.2 mt -66.52 -38.55 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -56.52 -48.03 78.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.642 ' CD ' HD22 ' A' ' 50' ' ' ASN . 32.7 tt0 -72.98 -33.75 66.03 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.91 -43.32 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.048 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 76.0 mt -64.78 -41.42 95.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.982 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.0 -37.14 83.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.226 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -73.32 -31.71 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.131 -0.356 . . . . 0.0 111.263 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 120.974 0.416 . . . . 0.0 110.803 -176.293 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -100.18 134.91 42.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 -170.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.818 ' HG ' ' HB ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -135.84 167.03 21.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.644 -179.381 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.83 126.09 2.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.29 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.065 HG22 ' HA ' ' B' ' 37' ' ' SER . 66.9 t -111.08 141.82 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.53 122.51 45.73 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.666 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 36' ' ' LEU . 25.9 pt -141.62 156.75 66.3 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.633 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 31.8 Cg_exo -60.44 169.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.218 2.612 . . . . 0.0 113.09 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' OE1' ' A' ' 20' ' ' GLU . 6.7 pt20 -76.43 -34.28 58.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.624 -177.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' HG2' ' A' ' 19' ' ' GLN . 1.7 mp0 -54.42 -32.74 58.04 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.825 173.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.921 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 4.0 m95 -77.19 -57.9 3.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.261 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.517 ' HA ' HD13 ' A' ' 36' ' ' LEU . 46.9 t-80 -50.19 -47.48 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.121 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 34.4 t70 -65.79 -52.6 49.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.467 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.3 mpt_? -72.3 -34.69 68.33 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 -174.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.05 -42.41 94.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 4.9 mmt -62.81 -41.27 99.23 Favored 'General case' 0 C--O 1.22 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 111.661 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 27.3 mm-40 -57.63 -52.86 63.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.007 0.432 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 67.5 mt -63.64 -43.7 98.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.209 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.52 -36.33 80.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.506 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' MET . 28.2 mtpp -76.64 -24.72 53.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 70.0 mt-10 -60.63 -46.0 91.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.055 0.455 . . . . 0.0 110.023 171.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' ILE . 1.3 mptp? -93.1 -2.38 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.232 -174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.1 t30 65.39 54.36 1.17 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.184 0.993 . . . . 0.0 110.615 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.6 mt -133.91 168.5 18.66 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.567 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -105.09 157.46 17.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.734 ' HG ' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -60.87 -27.4 68.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 109.957 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' B' ' 15' ' ' VAL . 29.2 t -55.56 -47.74 75.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.055 171.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.615 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 63.3 m-20 -63.79 -49.3 73.47 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.067 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -33.37 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.861 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.977 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 5.2 t -70.03 -55.68 8.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.638 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.91 -32.47 70.78 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 173.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -71.33 -23.89 62.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.591 -0.693 . . . . 0.0 109.796 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -69.99 -40.44 75.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.999 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 41' ' ' ARG . 15.5 pt -69.32 -31.17 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' ' HH2' ' B' ' 21' ' ' TRP . 66.7 tttm -59.89 -48.41 81.8 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.11 -28.53 62.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.277 0.561 . . . . 0.0 109.499 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -63.45 -46.2 87.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.707 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 76.9 mt -66.4 -39.58 89.1 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.035 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.66 -43.3 93.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.323 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 . . . . . 0 CA--C 1.535 0.404 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.611 -175.486 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.65 139.09 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.673 0.273 . . . . 0.0 110.578 -169.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -102.27 127.45 49.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 -176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.734 HD13 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -128.58 145.86 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.31 179.375 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.9 124.37 8.19 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.104 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.818 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 17.5 t -109.41 155.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -135.44 124.41 24.2 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.666 HD12 ' HE3' ' B' ' 21' ' ' TRP . 22.3 pt -147.06 159.14 43.61 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 15.8 Cg_endo -56.86 158.71 16.18 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.437 2.758 . . . . 0.0 113.622 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.7 -35.97 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.182 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -57.07 -30.66 64.49 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.878 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.666 ' HE3' HD12 ' B' ' 17' ' ' ILE . 1.7 m0 -77.77 -47.23 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.319 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -56.43 -37.97 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.04 -57.93 10.66 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 3.0 mpt_? -76.07 -30.2 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 60.9 mt -63.24 -45.95 89.21 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.478 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 24.6 mmt -63.86 -37.97 89.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.14 -44.8 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.53 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' B' ' 32' ' ' LYS . 80.3 mt -64.77 -33.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.516 0.674 . . . . 0.0 110.108 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.12 -34.44 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' B' ' 26' ' ' MET . 24.9 mtpp -79.99 -39.37 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.85 -53.68 46.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.946 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' B' ' 28' ' ' ILE . 49.3 mttp -95.56 -0.9 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.148 -165.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.8 t30 69.07 55.02 0.43 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.063 0.935 . . . . 0.0 110.208 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.3 mt -135.59 166.35 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.743 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.502 ' O ' HG23 ' B' ' 39' ' ' VAL . 45.0 p -118.13 160.69 21.11 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 168.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.23 -30.83 68.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.159 0.504 . . . . 0.0 110.051 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 1.065 ' HA ' HG22 ' A' ' 15' ' ' VAL . 8.2 t -60.98 -50.48 73.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.026 173.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' B' ' 35' ' ' THR . 19.0 m-20 -61.6 -42.01 98.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.792 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 35' ' ' THR . 77.5 t -62.35 -38.6 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.734 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.977 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 88.0 m -63.31 -63.64 1.13 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.629 0.252 . . . . 0.0 111.173 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.921 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -54.85 -42.4 71.93 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.316 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.494 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 42.1 mt -65.13 -35.33 80.78 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.721 -0.612 . . . . 0.0 110.322 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 47' ' ' TYR . . . -72.25 -21.94 61.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.993 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 20.1 mt -69.88 -39.68 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -39.54 84.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.316 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 109.452 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' B' ' 43' ' ' ALA . 22.4 t80 -62.03 -44.88 95.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.735 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.5 mt -66.9 -43.01 84.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.541 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -45.01 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -81.75 -12.99 58.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 42.4 m170 . . . . . 0 C--N 1.324 -0.503 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.698 -179.507 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.656 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 22.6 mm . . . . . 0 C--O 1.234 0.252 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.99 129.7 45.3 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.174 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -131.65 128.22 38.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.417 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' OG ' ' B' ' 37' ' ' SER . . . -104.4 121.89 7.15 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.902 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.13 HG22 ' HA ' ' B' ' 37' ' ' SER . 56.9 t -108.2 145.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.75 118.04 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.526 0.203 . . . . 0.0 110.781 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.775 HD12 ' HE3' ' A' ' 21' ' ' TRP . 16.7 pt -140.06 161.59 54.87 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.664 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 39.1 Cg_endo -65.92 153.64 77.29 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.946 2.431 . . . . 0.0 112.933 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -27.74 68.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -53.88 -40.28 66.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.617 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.775 ' HE3' HD12 ' A' ' 17' ' ' ILE . 9.9 m0 -73.77 -40.6 63.34 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.445 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.861 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -56.17 -45.0 79.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.242 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.53 -53.49 56.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.895 0.379 . . . . 0.0 111.222 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.6 mpt_? -74.98 -38.91 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.217 -173.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.9 -44.91 88.05 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.838 -0.165 . . . . 0.0 110.876 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 95.4 mmm -67.75 -25.95 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.17 -48.47 73.37 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.72 -29.79 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.006 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -29.34 70.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.948 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.78 -38.43 54.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.028 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -44.9 96.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.961 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -96.01 -4.67 42.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.21 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 59.42 45.88 13.13 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.468 0.652 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.597 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.9 mt -133.85 169.14 17.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.786 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -103.61 159.55 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.788 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD1' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -58.69 -36.27 73.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.736 0.303 . . . . 0.0 110.534 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.77 ' HB3' HG22 ' B' ' 15' ' ' VAL . 13.8 m -56.29 -43.89 79.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.596 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.614 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 47.2 m-20 -63.88 -40.91 97.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.987 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -39.03 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.336 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 31.1 m -70.73 -53.61 14.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.806 ' HG2' ' CG1' ' B' ' 15' ' ' VAL . 7.3 ppt_? -57.17 -37.21 71.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.121 -0.362 . . . . 0.0 111.508 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.85 -31.13 71.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 110.065 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.76 62.43 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.871 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 73.0 mt -66.23 -43.7 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.29 -37.28 77.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.154 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' OE1' ' NE2' ' B' ' 51' ' ' HIS . 8.6 tp10 -68.66 -42.49 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.39 177.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -62.54 -48.67 78.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.636 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 48.8 mt -67.35 -58.09 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.368 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.04 -31.69 73.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.493 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 . . . . . 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.0 -174.625 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.697 -0.161 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.861 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 16.9 mm -125.72 155.89 35.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -99.74 131.97 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.136 0.493 . . . . 0.0 110.688 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -133.93 161.73 33.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.465 178.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -144.26 146.26 16.61 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.32 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.806 ' CG1' ' HG2' ' A' ' 41' ' ' ARG . 3.2 t -130.4 165.93 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.401 ' N ' HG12 ' B' ' 15' ' ' VAL . 16.1 m-85 -127.02 121.9 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 171.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' B' ' 21' ' ' TRP . 24.2 pt -138.17 152.26 71.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.867 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.1 157.81 19.74 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.508 2.805 . . . . 0.0 113.235 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.41 -22.6 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.036 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.672 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 24.9 mm-40 -55.19 -39.9 70.11 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.636 0.731 . . . . 0.0 109.599 173.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.46 ' CH2' ' O ' ' A' ' 41' ' ' ARG . 11.4 m0 -74.41 -50.53 18.14 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.004 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.656 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 24.3 m-70 -55.95 -50.21 71.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.503 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.14 -50.89 72.31 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.967 0.413 . . . . 0.0 111.748 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.672 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.5 mpt_? -73.13 -36.87 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.722 -174.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.17 -34.0 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.266 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 80.4 mmm -60.95 -40.95 95.23 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.549 0.214 . . . . 0.0 110.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.5 tt0 -64.38 -44.65 90.67 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.511 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.16 -35.06 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.516 0.674 . . . . 0.0 109.814 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.2 -32.32 72.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.879 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 26' ' ' MET . 91.8 mttt -81.36 -33.57 32.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.361 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 48.9 mt-10 -61.6 -53.66 53.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.603 178.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.55 -2.03 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.76 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 65.17 54.41 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.48 0.657 . . . . 0.0 111.018 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.3 mt -134.21 167.83 19.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.417 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.3 p -108.28 165.82 11.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.062 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.595 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 2.0 pt? -56.99 -35.71 69.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 1.13 ' HA ' HG22 ' A' ' 15' ' ' VAL . 13.6 m -58.98 -47.34 85.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.582 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.2 m-20 -62.99 -49.07 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.454 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 35' ' ' THR . 94.6 t -61.76 -36.54 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.133 -176.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -64.67 -53.53 46.05 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.718 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 2.7 ppt_? -67.63 -35.53 79.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 95.1 mt -69.62 -23.95 63.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.451 0.643 . . . . 0.0 109.877 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.81 -39.07 66.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.01 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.693 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 21.0 pt -70.22 -28.59 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.225 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.08 -40.75 86.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.391 0.615 . . . . 0.0 109.634 172.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -71.36 -38.56 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.715 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -63.71 -41.44 98.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.184 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 80.4 mt -66.99 -38.64 86.39 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.694 0.283 . . . . 0.0 111.746 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.53 -40.12 43.73 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . 0.5 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 45.6 m-70 . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 32.9 mm . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.24 125.71 44.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.238 0.542 . . . . 0.0 110.895 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.58 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -132.8 166.41 22.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.898 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.27 131.36 4.83 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.019 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' B' ' 41' ' ' ARG . 14.2 t -108.75 159.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 117.68 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.775 HG22 ' HG3' ' B' ' 41' ' ' ARG . 23.4 pt -138.7 163.71 44.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.104 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' CD ' ' HB ' ' A' ' 17' ' ' ILE . 33.4 Cg_exo -60.84 150.16 84.62 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.113 2.542 . . . . 0.0 112.959 -176.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.79 -32.28 67.39 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.977 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 7.8 mm-40 -55.72 -41.99 74.67 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.362 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.77 ' HE3' HD12 ' A' ' 17' ' ' ILE . 45.0 m0 -76.25 -49.75 16.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.71 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 11.8 t-80 -53.81 -39.26 65.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.792 0.683 . . . . 0.0 110.643 -177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.93 -52.4 63.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.401 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 8.6 mpt_? -74.73 -27.97 60.58 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' A' ' 36' ' ' LEU . 77.4 mt -63.97 -41.3 97.58 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.2 mmt -62.23 -39.41 92.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.99 -46.72 83.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.04 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.62 -36.65 76.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.154 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.86 -26.55 68.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.0 mttm -79.36 -48.29 14.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.253 0.549 . . . . 0.0 109.825 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -41.68 97.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.565 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -94.94 -9.04 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.15 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.39 36.43 17.4 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.268 0.556 . . . . 0.0 111.653 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.0 mt -109.26 165.93 11.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 39' ' ' VAL . 68.2 p -106.17 159.44 16.09 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 25' ' ' LEU . 19.2 mt -60.61 -32.47 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.098 0.475 . . . . 0.0 110.314 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.969 ' HA ' HG22 ' B' ' 15' ' ' VAL . 2.9 m -56.87 -46.93 81.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 62.7 m-20 -63.71 -42.77 97.9 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.328 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 35' ' ' THR . 66.7 t -61.44 -47.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.879 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.614 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 0.6 OUTLIER -67.63 -50.27 58.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.702 -176.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.934 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.9 tmm_? -49.01 -54.19 16.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.109 0.563 . . . . 0.0 111.825 170.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -65.46 -21.62 66.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.048 0.452 . . . . 0.0 110.397 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.36 -35.33 71.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 14.2 mt -67.8 -34.95 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.11 -42.76 81.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.269 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' LEU . 9.9 mm-40 -70.02 -36.47 75.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.602 0.715 . . . . 0.0 109.602 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.39 -46.96 84.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.446 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 85.4 mt -63.96 -46.88 82.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.672 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.83 -42.57 99.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.747 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.141 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.042 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.71 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 4.7 mm -120.29 163.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -171.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -99.37 143.07 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.734 -173.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.49 HD23 ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -141.77 119.75 12.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.926 175.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.453 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -102.35 116.96 5.66 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.41 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.969 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -105.32 149.6 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.569 0.223 . . . . 0.0 110.636 -175.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.12 129.04 55.48 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 169.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.592 HD12 ' HE3' ' B' ' 21' ' ' TRP . 29.9 pt -137.89 147.31 56.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.756 0.313 . . . . 0.0 110.615 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.7 Cg_exo -63.53 169.98 8.96 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.796 2.997 . . . . 0.0 114.238 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -66.94 -38.69 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.813 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.69 -29.55 59.57 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.474 0.654 . . . . 0.0 110.707 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.934 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 6.3 m0 -76.5 -48.88 18.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.814 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' B' ' 26' ' ' MET . 28.7 m-70 -58.38 -35.97 72.8 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.16 -63.89 1.1 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.196 0.522 . . . . 0.0 111.323 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -75.55 -39.08 58.72 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.574 -0.45 . . . . 0.0 112.187 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.6 mt -66.02 -39.25 90.07 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.722 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.7 mmt -64.88 -33.63 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.43 -44.09 95.55 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.837 174.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.75 -37.03 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.907 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -60.49 -40.05 89.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.209 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -79.52 -38.5 34.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 0.0 110.214 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.88 -44.33 90.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.445 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -95.57 -1.91 49.49 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 68.59 53.32 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.416 0.627 . . . . 0.0 110.958 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.475 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.9 mt -136.62 167.44 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.033 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 30.8 p -111.51 165.39 12.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 13' ' ' LEU . 2.7 pt? -58.38 -43.95 88.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.929 0.331 . . . . 0.0 110.471 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 15' ' ' VAL . 19.6 m -60.17 -42.62 95.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HB2' ' H ' ' B' ' 35' ' ' THR . 4.6 m-20 -63.65 -42.21 98.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 35' ' ' THR . 86.4 t -63.98 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.654 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.614 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 2.7 t -64.81 -50.19 67.7 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.396 0.617 . . . . 0.0 109.764 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.775 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -53.88 -44.19 70.24 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.297 171.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.7 mt -67.25 -24.57 65.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.464 0.65 . . . . 0.0 110.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -73.8 -35.16 64.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.384 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 41' ' ' ARG . 33.1 pt -71.55 -29.78 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.848 177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -59.15 -44.67 92.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.543 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.11 -28.89 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.105 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.529 ' O ' ' HB2' ' B' ' 51' ' ' HIS . 57.3 t80 -63.3 -45.49 91.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.573 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 65.4 mt -65.87 -49.7 67.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.646 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.0 -46.18 91.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.93 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.79 -27.26 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 47' ' ' TYR . 5.9 m-70 . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.313 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 28.5 mm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.558 0.218 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 50.1 tptt -101.07 121.37 41.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.829 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' ' HA2' ' B' ' 14' ' ' GLY . 0.2 OUTLIER -120.19 132.74 55.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.353 -179.028 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.05 135.73 12.47 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.966 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.2 t -125.77 165.62 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.18 121.76 21.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 110.687 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.63 HD12 ' HE3' ' A' ' 21' ' ' TRP . 25.3 pt -142.68 153.58 61.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.255 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.93 151.73 47.58 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.027 2.484 . . . . 0.0 113.047 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -56.21 -46.27 79.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -59.07 -26.34 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.645 0.26 . . . . 0.0 111.694 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.675 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 0.1 OUTLIER -83.46 -44.04 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' HD2' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -51.53 -51.66 53.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.459 0.647 . . . . 0.0 110.435 171.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 34.2 t70 -62.06 -42.99 99.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.119 -173.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 5.7 mpt_? -76.38 -27.11 56.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.932 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 21' ' ' TRP . 70.9 mt -64.03 -41.88 97.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 90.5 mmm -63.69 -34.51 78.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.792 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.7 mt-10 -63.14 -50.65 69.59 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 109.886 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.65 -35.09 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.051 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.21 -29.28 70.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.466 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 26' ' ' MET . 51.9 mtmt -80.11 -36.63 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.417 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.12 -48.47 78.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.494 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -91.69 -4.27 55.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.055 -170.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 61.75 52.03 3.67 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.534 0.683 . . . . 0.0 110.741 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.5 mt -134.91 168.56 18.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.267 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -104.99 164.74 11.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 37' ' ' SER . 4.0 pp -59.55 -34.36 72.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.613 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.86 ' HA ' HG22 ' B' ' 15' ' ' VAL . 16.8 m -58.68 -41.21 85.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.328 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.2 -45.4 84.94 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.365 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.57 -35.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.65 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 2.0 t -68.66 -55.77 10.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.02 -37.11 73.69 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.914 -0.491 . . . . 0.0 111.804 173.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 69.8 mt -67.29 -23.71 65.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.461 0.648 . . . . 0.0 109.41 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.95 -43.5 62.23 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.174 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.2 pt -69.22 -30.06 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.729 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.31 -41.08 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 109.875 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.66 -35.26 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.292 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.85 -45.6 93.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.094 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 84.5 mt -65.48 -50.8 63.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.47 -30.24 71.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.81 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.831 -179.104 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 31.2 mm -123.89 161.66 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.407 ' N ' HG22 ' B' ' 11' ' ' ILE . 48.1 tptt -98.99 138.49 36.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.453 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.3 pt? -142.24 163.86 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.736 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -150.31 126.15 2.1 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.007 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -109.03 153.18 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.468 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 m-85 -114.22 124.92 53.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.386 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.653 HD12 ' HE3' ' B' ' 21' ' ' TRP . 23.9 pt -136.09 157.89 74.84 Favored Pre-proline 0 C--O 1.236 0.368 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.455 176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.41 177.78 3.65 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.74 2.96 . . . . 0.0 115.347 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' B' ' 20' ' ' GLU . 15.2 pt20 -61.02 -60.11 4.3 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.522 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.577 ' H ' ' HG3' ' B' ' 19' ' ' GLN . 22.4 mm-40 -59.53 -18.58 41.65 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.927 0.394 . . . . 0.0 111.96 -174.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.653 ' HE3' HD12 ' B' ' 17' ' ' ILE . 10.3 m0 -78.77 -57.22 3.87 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' B' ' 26' ' ' MET . 44.7 t-80 -56.08 -43.12 77.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.508 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.32 -54.86 38.43 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.697 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mmt-85 -72.02 -35.6 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.278 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 -32.58 73.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.216 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 72.3 mmm -62.62 -41.1 98.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.985 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.8 mt-10 -61.95 -49.94 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.154 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.09 -31.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.464 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.275 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -79.52 -30.16 41.77 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.427 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 86.6 mt-10 -63.05 -49.1 75.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.815 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 10.9 mptt -95.42 -2.65 48.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.03 -174.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 66.08 46.4 2.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.388 0.613 . . . . 0.0 111.339 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -131.41 166.76 20.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.172 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 39' ' ' VAL . 73.3 p -104.63 160.15 15.19 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.868 173.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.7 pt? -58.45 -35.07 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.101 0.477 . . . . 0.0 110.065 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 15' ' ' VAL . 18.4 m -56.89 -44.82 82.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.526 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 69.4 m-20 -66.07 -48.67 70.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.383 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 35' ' ' THR . 58.9 t -59.56 -37.28 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.915 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.571 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.4 t -66.38 -59.03 4.06 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.704 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.675 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 17.6 ptt180 -59.66 -37.68 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 91.8 mt -68.8 -25.47 64.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.038 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -24.35 59.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.514 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.571 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 51.2 mt -67.83 -38.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 42' ' ' LEU . 59.4 tptt -57.96 -41.88 83.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.867 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.95 -36.53 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 109.508 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.9 -47.8 81.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.097 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.3 mt -66.34 -46.09 78.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.3 -50.13 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.886 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.49 -14.12 57.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.327 -0.373 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.541 179.554 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -100.87 121.37 41.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.206 0.527 . . . . 0.0 110.17 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -125.31 164.15 20.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.9 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.593 ' HA3' ' HZ1' ' B' ' 12' ' ' LYS . . . -145.61 136.28 6.37 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.424 -175.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.6 165.54 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.699 ' HA ' ' O ' ' B' ' 11' ' ' ILE . 4.6 m-85 -128.04 110.68 12.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.95 0.405 . . . . 0.0 110.309 171.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD22 ' B' ' 13' ' ' LEU . 32.1 pt -121.71 147.12 47.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.444 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.37 174.62 8.9 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.799 2.333 . . . . 0.0 113.823 -173.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 1.6 tp-100 -50.51 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.399 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 33.4 mt-10 -49.34 -26.6 3.24 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -81.24 -53.36 6.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -176.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.36 -42.14 98.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.88 -52.78 61.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.452 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -73.5 -35.22 65.6 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.624 -175.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 25' ' ' LEU . 21.9 mt -64.11 -48.19 77.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.349 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.602 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 86.5 mmm -64.49 -30.6 71.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -66.18 -50.81 62.61 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.242 0.544 . . . . 0.0 110.088 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.63 -34.47 65.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.411 0.624 . . . . 0.0 109.441 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.37 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.642 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 26' ' ' MET . 55.8 mttp -77.22 -49.71 14.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -35.96 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.254 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -91.58 -10.97 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.667 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 57.0 51.35 10.68 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.787 0.803 . . . . 0.0 109.901 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.0 mt -130.09 167.22 18.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.186 -178.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 p -104.22 155.18 18.94 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -61.79 -24.66 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.032 ' HA ' HG22 ' B' ' 15' ' ' VAL . 23.0 m -60.41 -47.34 86.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.967 169.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 31.6 m-20 -61.71 -50.34 72.83 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.57 -32.5 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.056 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' B' ' 40' ' ' CYS . 2.2 t -70.46 -54.09 13.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.966 0.413 . . . . 0.0 111.274 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.956 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.1 OUTLIER -66.21 -31.91 73.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.108 -0.37 . . . . 0.0 111.87 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.7 mt -73.5 -18.45 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.75 -46.58 58.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.271 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' B' ' 40' ' ' CYS . 5.2 pt -69.4 -29.32 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.074 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 12.8 tmtt? -60.17 -44.82 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 172.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -68.73 -33.86 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.34 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -62.68 -46.7 86.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.679 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 79.8 mt -66.67 -44.93 80.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.86 -39.96 86.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.479 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.619 -178.093 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.853 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.699 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 24.2 mm -108.84 151.65 11.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.669 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 56.0 tptt -100.39 126.05 46.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.541 0.686 . . . . 0.0 111.156 -172.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -133.13 159.85 38.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.772 178.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 119.01 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.034 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 1.032 HG22 ' HA ' ' A' ' 37' ' ' SER . 25.0 t -108.13 145.17 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.48 0.181 . . . . 0.0 110.955 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.27 126.0 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.423 171.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.955 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 18.6 pt -140.77 155.91 69.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.775 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.27 156.83 23.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.564 2.843 . . . . 0.0 113.93 -177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.853 HE21 ' HA ' ' B' ' 19' ' ' GLN . 0.0 OUTLIER -66.19 -35.71 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.369 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' B' ' 20' ' ' GLU . 1.7 mp0 -54.12 -34.88 61.42 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.749 0.785 . . . . 0.0 110.149 177.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.956 ' HZ3' ' HB2' ' A' ' 41' ' ' ARG . 38.3 m0 -76.74 -45.13 30.37 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.245 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.521 ' O ' ' HG2' ' B' ' 26' ' ' MET . 0.1 OUTLIER -56.15 -44.56 79.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 178.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.89 -51.24 66.6 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -73.15 -39.67 65.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.709 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 44' ' ' ILE . 71.3 mt -66.19 -48.12 71.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 89.6 mmm -65.58 -25.51 67.44 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.039 0.447 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 5.0 tp10 -64.73 -49.84 69.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.93 -29.58 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.102 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.03 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 26' ' ' MET . 38.5 mttp -78.99 -40.01 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 28.8 mm-40 -60.64 -59.11 5.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.778 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -95.71 -2.44 47.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 65.89 55.18 0.97 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.679 0.752 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.45 166.17 15.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.438 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.447 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.5 p -105.67 160.75 14.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 1.9 pt? -55.0 -42.56 72.67 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -43.2 91.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.503 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.426 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 22.0 m-20 -63.25 -46.56 86.32 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.731 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.725 HG11 HD22 ' B' ' 25' ' ' LEU . 58.0 t -60.56 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 123.197 0.311 . . . . 0.0 111.493 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.88 ' HA ' HG23 ' A' ' 44' ' ' ILE . 17.6 m -65.91 -55.76 15.26 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.144 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.773 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 5.8 ppt_? -61.43 -30.71 70.74 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.73 -31.97 72.96 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.728 -0.607 . . . . 0.0 110.077 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -75.64 -21.47 57.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.657 176.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.488 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 53.9 mt -68.37 -39.29 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' B' ' 45' ' ' LYS . 13.2 tmtt? -56.33 -48.16 77.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.255 174.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -26.88 63.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.918 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -63.6 -49.96 71.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.3 mt -66.29 -45.08 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.912 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.97 -43.17 95.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.638 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -22.34 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.548 -176.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.624 179.29 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 C--O 1.235 0.304 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' B' ' 16' ' ' TYR . 23.3 tptm -100.11 123.4 44.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.525 . . . . 0.0 110.777 -175.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.6 OUTLIER -131.61 139.22 49.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.107 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.83 115.6 5.13 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.492 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.3 t -104.56 134.44 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.708 0.29 . . . . 0.0 110.256 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -107.43 119.63 39.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 175.47 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.873 HD12 ' HE3' ' A' ' 21' ' ' TRP . 1.8 pt -136.41 149.73 68.51 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.381 178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.858 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 72.5 Cg_exo -52.1 144.93 35.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.42 2.747 . . . . 0.0 112.968 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.07 -24.29 65.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.435 -178.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 18.4 mt-10 -55.43 -36.57 66.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.688 0.756 . . . . 0.0 109.891 173.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.934 ' HZ3' ' HB2' ' B' ' 41' ' ' ARG . 45.0 m0 -77.98 -35.69 49.83 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.288 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.885 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 18.3 m-70 -59.49 -45.45 91.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.656 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.67 -53.12 61.34 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 111.187 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -71.2 -45.8 62.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 HD12 ' B' ' 44' ' ' ILE . 78.2 mt -67.64 -37.86 83.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.549 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.4 mmm -64.36 -31.18 72.28 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.492 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 27' ' ' GLU . 1.3 tp10 -65.79 -43.92 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.425 0.631 . . . . 0.0 109.728 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.28 -36.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.877 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.37 -29.14 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.694 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 26' ' ' MET . 52.1 mttp -79.2 -32.92 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.57 -42.74 98.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.044 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.29 -7.27 39.25 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.22 57.27 2.99 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.956 0.884 . . . . 0.0 109.686 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 74.8 mt -138.73 168.48 19.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.955 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -103.5 144.3 31.59 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.493 HD13 HD13 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -59.13 -18.38 35.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 p -62.76 -49.23 75.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.413 171.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 15.4 t70 -66.77 -39.67 87.93 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.265 0.555 . . . . 0.0 109.875 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.38 -31.64 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.746 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.635 ' CB ' ' HG ' ' B' ' 40' ' ' CYS . 4.3 t -69.6 -48.42 60.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 5.1 ppt_? -62.73 -34.72 77.78 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.906 -0.497 . . . . 0.0 110.62 172.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 75.5 mt -64.3 -28.55 69.79 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.615 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.07 -30.47 65.16 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.837 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 32.1 mt -67.69 -42.0 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -58.3 -38.67 77.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.395 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.52 -36.82 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.426 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.449 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 83.0 mt -66.02 -49.54 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.35 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.85 -29.04 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.4 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.135 -179.693 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.858 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.885 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 26.6 mm -115.71 159.93 15.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 22.1 tptm -99.42 133.04 44.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.147 0.499 . . . . 0.0 111.723 -170.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.733 HD21 HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -134.77 132.51 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.254 174.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.48 123.5 7.71 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.989 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 41' ' ' ARG . 10.5 t -113.99 152.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.729 0.299 . . . . 0.0 110.981 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 12' ' ' LYS . 11.1 m-85 -118.53 120.73 38.39 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.116 169.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.3 pt -129.56 144.22 52.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 51.2 Cg_exo -54.39 157.7 11.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.866 3.044 . . . . 0.0 113.869 -173.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -62.61 -31.88 72.79 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.626 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.98 -30.44 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.737 0.779 . . . . 0.0 109.97 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.739 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 7.8 m0 -79.04 -45.0 21.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.594 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' B' ' 26' ' ' MET . 22.2 t-80 -56.54 -37.18 70.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.864 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.9 -59.04 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.476 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -70.93 -49.56 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.821 -174.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.73 -47.92 76.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.512 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 97.0 mmm -67.01 -27.11 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.698 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HA ' ' OE1' ' B' ' 27' ' ' GLU . 4.7 tp10 -65.15 -42.02 94.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.393 173.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.12 -31.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.73 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.68 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.424 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' B' ' 27' ' ' GLU . 37.2 mttp -79.47 -43.86 22.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 0.0 109.606 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.95 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.096 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -95.56 -1.88 49.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 64.79 56.06 1.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.683 0.754 . . . . 0.0 110.315 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -133.78 166.37 22.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.109 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 39' ' ' VAL . 44.7 p -104.51 159.85 15.41 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 172.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.3 pt? -59.03 -32.99 70.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.989 0.423 . . . . 0.0 110.145 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.1 m -59.0 -46.2 88.76 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.759 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 27.1 m-20 -63.3 -41.63 98.98 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.308 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 35' ' ' THR . 62.5 t -61.55 -36.15 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.635 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -65.47 -61.2 2.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.996 0.426 . . . . 0.0 110.243 -178.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.934 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 4.5 ppt_? -59.0 -33.02 70.23 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 77.2 mt -68.42 -27.36 66.13 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 109.787 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -37.42 65.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.671 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.582 HD12 HD11 ' A' ' 25' ' ' LEU . 2.7 pt -69.54 -28.93 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.715 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -56.02 -48.63 75.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.245 0.545 . . . . 0.0 109.743 171.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.12 -31.47 69.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.741 0.781 . . . . 0.0 109.835 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -64.55 -42.42 95.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.429 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.0 mt -65.69 -46.07 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.387 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.26 -47.05 82.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -82.02 -19.73 39.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.356 -179.215 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mm . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -99.95 131.72 45.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.36 0.6 . . . . 0.0 111.488 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -127.16 136.61 52.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.503 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.43 118.22 5.88 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.037 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 25.6 t -108.22 144.61 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.64 121.45 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.525 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' HE3' ' A' ' 21' ' ' TRP . 30.1 pt -139.68 152.63 68.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.787 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 37.1 Cg_endo -64.91 168.21 14.16 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.335 2.69 . . . . 0.0 113.197 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 1.7 pt20 -72.88 -28.05 62.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.381 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 1.6 mp0 -56.9 -39.37 74.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.015 0.912 . . . . 0.0 109.135 174.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.765 ' CZ3' ' HB2' ' B' ' 41' ' ' ARG . 5.2 m0 -73.91 -43.91 56.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.257 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 1.4 m-70 -58.48 -42.25 87.09 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.267 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.75 -49.63 76.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.113 0.482 . . . . 0.0 110.966 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -71.74 -39.12 70.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.285 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.576 HD21 HD12 ' B' ' 44' ' ' ILE . 1.5 mm? -63.29 -48.76 76.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.13 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.21 -40.06 94.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.8 -45.81 73.72 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.567 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.53 -38.65 82.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 110.671 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.86 -44.63 96.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -77.56 -26.32 50.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.308 0.575 . . . . 0.0 110.058 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.08 -42.78 99.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.558 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -95.51 -3.01 47.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.78 40.76 5.43 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.553 0.692 . . . . 0.0 111.11 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 92.5 mt -126.28 168.66 13.8 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.522 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -103.34 156.86 17.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -57.09 -32.93 66.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.575 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.3 m -56.36 -45.8 80.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.726 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 66.1 m-20 -64.15 -44.9 90.71 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.008 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 0.1 OUTLIER -68.78 -54.34 16.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.363 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.726 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.5 ppt_? -60.19 -34.3 73.42 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.917 -0.489 . . . . 0.0 111.983 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 87.8 mt -68.31 -29.79 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.315 0.578 . . . . 0.0 109.562 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.27 -28.16 62.94 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 63.5 mt -66.98 -37.59 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -59.95 -38.71 83.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.355 173.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.658 ' HG3' ' CD1' ' B' ' 47' ' ' TYR . 12.1 mm-40 -68.85 -35.7 77.25 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.518 0.675 . . . . 0.0 109.346 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -63.5 -45.47 90.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.797 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 HD11 ' B' ' 25' ' ' LEU . 84.3 mt -67.35 -38.95 85.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.909 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.77 -47.32 84.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.093 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.518 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.4 mm -104.85 154.93 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -98.02 123.58 42.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.62 0.724 . . . . 0.0 111.603 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -129.94 135.02 47.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.739 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 121.8 7.14 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.108 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 37' ' ' SER . 50.7 t -104.39 154.53 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.47 126.67 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.525 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.698 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.1 pt -143.12 155.72 61.79 Favored Pre-proline 0 C--O 1.235 0.333 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.143 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.17 158.84 6.39 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.703 2.935 . . . . 0.0 113.508 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG3' ' OE2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -76.14 -31.74 58.75 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.126 179.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HG3' ' B' ' 19' ' ' GLN . 2.1 pm0 -61.1 -23.97 65.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.298 171.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.698 ' HE3' HD12 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -80.78 -42.77 21.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.428 176.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 26' ' ' MET . 13.5 m-70 -59.76 -35.72 75.18 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.149 0.5 . . . . 0.0 109.845 174.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.81 -64.78 0.81 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.208 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 52.6 mmt-85 -73.35 -51.9 15.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.0 mm? -65.77 -40.25 91.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.396 -171.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.586 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -68.48 -29.55 68.19 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.276 178.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.69 -37.62 85.11 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.611 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.426 HD12 HD13 ' B' ' 25' ' ' LEU . 73.3 mt -65.81 -35.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.524 0.678 . . . . 0.0 109.265 174.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.31 -29.26 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.912 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' B' ' 26' ' ' MET . 59.1 mttp -78.41 -39.66 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.509 ' HG3' ' NZ ' ' B' ' 32' ' ' LYS . 15.8 tp10 -61.61 -43.99 97.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.266 -1.333 . . . . 0.0 111.104 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.864 ' HA ' ' HE3' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -95.82 -2.95 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -176.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m120 64.97 44.76 3.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.512 0.672 . . . . 0.0 111.119 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -132.92 169.31 16.96 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.928 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.1 p -103.28 160.25 14.84 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.484 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.5 pt? -60.28 -32.91 71.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.804 0.335 . . . . 0.0 110.372 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 15' ' ' VAL . 14.8 m -58.37 -41.55 85.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.45 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.5 m-20 -63.32 -48.78 76.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.051 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.05 -35.14 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.76 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.892 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.9 t -65.51 -56.1 14.19 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.97 0.414 . . . . 0.0 110.718 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.765 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 4.4 ppt_? -63.95 -37.3 86.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.6 mt -67.3 -23.97 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.565 -0.709 . . . . 0.0 109.92 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.43 69.55 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.765 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 33.6 pt -70.46 -26.19 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.421 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.67 -42.78 97.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.028 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.84 -35.4 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.715 0.769 . . . . 0.0 108.984 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.658 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 58.3 t80 -62.08 -45.47 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.348 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.6 mt -65.83 -47.83 73.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.606 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -63.08 -38.54 91.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.271 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.43 HD22 ' N ' ' B' ' 50' ' ' ASN . 0.9 OUTLIER -77.83 -34.34 51.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.021 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.513 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.891 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 4.7 mp . . . . . 0 C--O 1.234 0.249 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 4.8 tmmm? -100.53 127.89 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.403 0.62 . . . . 0.0 110.073 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -121.96 150.54 41.88 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.524 -175.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.46 111.26 3.97 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.623 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.721 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 34.7 t -103.71 141.36 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 121.74 39.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.328 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.632 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.3 pt -139.91 149.62 59.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.94 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 33.4 Cg_exo -59.05 160.17 19.52 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.717 2.945 . . . . 0.0 114.041 -175.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.758 ' HA ' ' CD1' ' B' ' 11' ' ' ILE . 19.8 pt20 -63.9 -30.09 71.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.433 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 27.3 mt-10 -56.53 -37.63 70.73 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.952 0.882 . . . . 0.0 109.501 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.632 ' HE3' HD12 ' A' ' 17' ' ' ILE . 13.9 m0 -77.57 -52.51 8.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.657 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' B' ' 11' ' ' ILE . 36.3 t-80 -53.58 -44.81 69.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.44 -50.82 68.24 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.1 mpt_? -74.2 -35.79 63.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.897 0.379 . . . . 0.0 111.072 -174.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 3.6 mm? -66.49 -48.74 68.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.76 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.475 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 94.0 mmm -63.72 -27.07 68.96 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.79 -54.02 45.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.542 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.61 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.303 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.273 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -78.0 -32.77 51.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -49.89 74.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.937 176.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -87.33 -5.2 58.98 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 HD22 ' N ' ' A' ' 33' ' ' ASN . 0.9 OUTLIER 64.87 45.55 3.22 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.241 0.543 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.0 mt -129.33 166.5 19.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.597 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 39' ' ' VAL . 75.1 p -104.83 157.07 17.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -59.82 -27.71 66.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.353 . . . . 0.0 110.226 174.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.052 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.2 m -60.14 -48.37 81.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 170.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.543 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 36.3 m-20 -63.71 -47.7 80.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 35' ' ' THR . 56.4 t -63.85 -28.9 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.1 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.6 t -69.87 -51.2 35.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.8 ppt_? -67.13 -31.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.975 -0.453 . . . . 0.0 111.292 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 90.9 mt -71.52 -21.23 61.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.319 0.58 . . . . 0.0 110.259 174.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -70.17 -50.48 39.84 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.032 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.777 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.6 pt -70.01 -22.03 24.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -56.65 -49.71 74.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.14 0.495 . . . . 0.0 109.679 170.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.13 -36.17 72.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.892 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 72.5 t80 -61.19 -42.25 98.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.571 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 78.3 mt -63.8 -50.87 67.27 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.763 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -60.33 -36.88 78.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.424 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.94 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.758 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 3.7 mp -119.46 150.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.69 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -100.53 130.15 46.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 109.949 -176.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.721 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -128.86 139.85 51.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.599 -176.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.484 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -104.26 118.95 6.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 1.052 HG22 ' HA ' ' A' ' 37' ' ' SER . 37.2 t -110.7 146.02 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -109.44 124.87 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.709 HD12 ' HE3' ' B' ' 21' ' ' TRP . 25.1 pt -140.51 150.45 60.73 Favored Pre-proline 0 C--O 1.236 0.391 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.499 ' O ' ' HD2' ' B' ' 22' ' ' HIS . 36.4 Cg_exo -61.87 156.11 50.76 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.876 3.051 . . . . 0.0 113.582 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -24.78 61.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.119 -176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.3 -33.45 63.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -79.12 -43.56 23.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.706 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.891 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 47.5 m-70 -55.46 -40.79 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.28 -65.76 0.62 Allowed 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -73.08 -48.75 33.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.721 -171.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.631 HD11 HD21 ' A' ' 48' ' ' LEU . 4.2 mm? -66.2 -45.13 81.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.607 -174.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.669 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 81.7 mmm -66.12 -30.52 71.03 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.923 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.07 -38.16 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.401 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.39 -37.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.556 175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.86 -25.51 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.525 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 26' ' ' MET . 33.3 mmtp -77.77 -43.14 31.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -46.33 89.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -92.12 -2.05 56.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.67 51.98 0.78 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.203 0.525 . . . . 0.0 111.545 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.3 mt -134.69 167.18 21.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.905 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 39' ' ' VAL . 80.1 p -104.64 164.22 11.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 169.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.651 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 2.2 pt? -56.36 -39.89 73.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.511 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 14.6 m -56.26 -43.52 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 58.4 m-20 -64.05 -45.6 88.1 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 35' ' ' THR . 57.2 t -61.91 -42.42 94.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -175.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.777 ' HA ' HG23 ' A' ' 44' ' ' ILE . 24.8 m -63.7 -57.28 10.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.644 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.4 ppt_? -62.01 -33.72 74.87 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 42' ' ' LEU . 55.5 mt -66.36 -31.98 73.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.376 0.608 . . . . 0.0 109.75 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.892 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.16 -22.22 60.54 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.434 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.544 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 65.6 mt -67.27 -42.04 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.19 -40.48 81.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.039 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.09 -38.42 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.4 0.619 . . . . 0.0 109.957 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -62.14 -43.69 98.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.936 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 62.0 mt -69.44 -56.44 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.731 176.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -63.9 -13.83 48.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.514 -172.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -68.56 -58.13 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.481 179.736 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -100.69 122.32 43.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.738 HD13 HD12 ' B' ' 36' ' ' LEU . 1.3 pt? -133.59 133.72 42.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.936 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.584 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -103.7 129.93 10.05 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.92 175.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' B' ' 37' ' ' SER . 43.9 t -112.47 152.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -116.52 120.66 39.43 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.568 0.223 . . . . 0.0 110.728 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.806 HD12 ' HE3' ' A' ' 21' ' ' TRP . 6.7 pt -140.63 156.04 69.31 Favored Pre-proline 0 C--N 1.32 -0.688 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.714 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.79 145.9 47.93 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.336 2.69 . . . . 0.0 112.705 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -75.3 -11.78 60.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.798 -178.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.8 mt-10 -53.91 -42.18 68.46 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.862 0.839 . . . . 0.0 109.008 169.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.806 ' HE3' HD12 ' A' ' 17' ' ' ILE . 36.7 m0 -80.64 -34.66 34.76 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.078 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 1.259 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 42.2 m-70 -56.54 -38.14 71.46 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.904 175.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.55 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.04 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 12.0 mpt_? -73.03 -44.82 60.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.782 -172.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HD12 ' B' ' 44' ' ' ILE . 66.4 mt -63.49 -47.21 82.68 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.265 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 88.1 mmm -67.43 -29.23 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.679 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.53 -49.31 66.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.076 0.465 . . . . 0.0 109.837 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ARG . 66.1 mt -62.23 -35.65 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 109.755 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.08 -28.39 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -75.57 -45.21 39.13 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.32 -37.63 88.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.381 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.69 -5.49 42.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -174.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.35 43.07 2.79 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.778 0.799 . . . . 0.0 111.092 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.642 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.6 mt -128.54 170.05 13.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.392 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -109.15 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.963 168.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.98 -37.21 76.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.338 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' B' ' 15' ' ' VAL . 20.1 m -57.22 -43.78 83.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.505 176.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.61 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 44.8 m-20 -62.77 -51.17 68.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.4 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.09 -35.47 68.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.022 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.688 ' HA ' ' CG2' ' B' ' 44' ' ' ILE . 3.7 t -71.19 -53.55 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.518 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.681 ' HB3' HG11 ' B' ' 15' ' ' VAL . 6.4 ppt_? -61.48 -37.89 85.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.749 -0.595 . . . . 0.0 111.493 173.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.76 -23.71 66.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 121.664 -0.647 . . . . 0.0 109.909 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HG22 ' B' ' 44' ' ' ILE . . . -71.78 -33.43 68.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.725 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.634 ' CG1' ' HA ' ' B' ' 40' ' ' CYS . 47.2 mt -67.01 -42.67 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.38 -41.97 86.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.133 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' ' HD1' ' B' ' 47' ' ' TYR . 4.2 tp10 -70.58 -34.6 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 59.0 t80 -63.89 -48.66 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.249 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.9 mt -67.88 -54.46 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.534 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.9 -32.99 72.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.371 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.902 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 1.259 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 34.8 mm -114.78 159.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -171.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.584 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -99.22 122.65 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.443 0.464 . . . . 0.0 110.068 -171.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -125.6 135.6 52.37 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.081 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.25 120.79 6.89 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.31 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 41' ' ' ARG . 14.9 t -107.31 158.77 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.414 ' HD1' ' HA ' ' B' ' 16' ' ' TYR . 0.0 OUTLIER -135.05 116.6 14.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' B' ' 21' ' ' TRP . 31.5 pt -140.55 150.37 60.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.957 -175.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 19.4 Cg_endo -61.45 163.78 16.98 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.926 2.417 . . . . 0.0 113.439 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -66.51 -31.77 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.676 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.53 -35.99 54.57 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.988 0.899 . . . . 0.0 109.89 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' B' ' 17' ' ' ILE . 2.6 m95 -75.89 -56.7 4.42 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.18 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.579 ' O ' ' HG2' ' B' ' 26' ' ' MET . 28.3 t-80 -54.87 -43.08 72.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.53 -51.6 69.17 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -71.73 -35.25 70.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 65.8 mt -65.52 -40.25 92.77 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.969 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 91.0 mmm -62.57 -38.92 91.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.382 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.08 -44.72 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.083 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.03 -39.83 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.516 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.89 -34.81 78.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -78.23 -34.55 49.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.551 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.04 -46.67 83.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.285 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -2.65 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.05 50.53 1.43 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.49 0.662 . . . . 0.0 111.24 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.0 mt -135.59 168.36 19.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.82 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -104.43 164.91 11.41 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.042 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.422 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.772 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.3 m -58.09 -39.9 79.77 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.279 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 69.2 m-20 -64.64 -44.12 91.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.411 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -35.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.732 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.634 ' HA ' ' CG1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -65.65 -64.75 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.821 0.344 . . . . 0.0 110.206 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.9 ppt_? -58.09 -33.83 69.5 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.68 -33.89 74.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.137 -0.977 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -72.6 -29.43 63.49 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.378 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.688 ' CG2' ' HA ' ' A' ' 40' ' ' CYS . 7.3 pt -72.42 -31.32 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.456 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -62.0 -34.66 76.59 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.478 173.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.84 -39.92 76.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.685 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.455 ' HA ' ' ND2' ' B' ' 50' ' ' ASN . 40.1 t80 -66.74 -45.15 79.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.248 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 78.6 mt -66.5 -45.65 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.445 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.65 -35.38 79.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.711 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' B' ' 47' ' ' TYR . 4.2 p30 -81.75 -15.48 54.17 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.76 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.593 177.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 13.0 mm . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -99.9 132.15 45.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.343 0.592 . . . . 0.0 111.167 -168.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -129.63 145.01 51.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.789 178.443 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' CA ' ' HE3' ' B' ' 12' ' ' LYS . . . -102.39 122.01 7.38 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.861 -177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.974 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 8.8 t -113.8 150.74 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CZ ' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -133.11 117.62 17.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.701 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 31.0 pt -138.26 159.21 69.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.681 -176.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 36.9 Cg_endo -63.72 162.13 29.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.005 2.47 . . . . 0.0 113.463 -170.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.519 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 mm-40 -60.5 -30.39 69.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 0.7 OUTLIER -78.57 -45.2 22.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.877 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 42.5 m-70 -58.77 -44.87 90.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.555 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -57.93 -51.94 67.56 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.256 0.348 . . . . 0.0 111.723 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 52.6 mmt-85 -76.27 -40.3 52.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.952 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.61 -49.06 72.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.797 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 98.0 mmm -66.03 -25.59 67.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.71 0.29 . . . . 0.0 111.213 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.61 -47.87 68.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.822 177.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.86 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 109.207 173.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.661 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.18 -19.11 65.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.825 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 26' ' ' MET . 62.0 mttp -80.31 -45.86 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -62.41 -45.91 90.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.39 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -95.24 -7.54 38.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.435 -170.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 63.0 68.82 0.61 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.655 0.741 . . . . 0.0 110.905 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.661 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 93.4 mt -139.59 168.49 19.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.795 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 p -104.83 153.02 21.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.5 pt? -57.78 -33.85 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.335 0.516 . . . . 0.0 110.298 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.821 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.7 m -56.07 -43.2 77.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.217 176.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 64.8 m-20 -62.77 -39.8 95.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.67 -36.08 75.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.281 -176.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.655 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 3.7 m -69.62 -51.36 35.7 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.13 0.49 . . . . 0.0 110.271 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.858 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -48.99 -48.11 43.67 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.298 170.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 93.6 mt -67.83 -30.43 69.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.458 . . . . 0.0 110.44 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.34 -32.81 68.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.884 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.5 mt -65.43 -39.52 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -56.67 -47.19 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.904 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' A' ' 50' ' ' ASN . 30.4 tt0 -71.07 -36.25 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -62.39 -44.0 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.488 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 81.7 mt -64.81 -37.59 88.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.264 0.554 . . . . 0.0 110.079 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.45 -43.56 97.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.534 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' OE2' ' B' ' 46' ' ' GLU . 63.5 m-20 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.705 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.913 0 CA-C-O 121.103 0.279 . . . . 0.0 113.006 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.877 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.2 mm -110.81 161.47 9.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.874 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 22.2 tptm -99.39 131.46 45.39 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 111.105 -173.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.974 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 1.1 pt? -135.4 166.27 23.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.62 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.49 127.56 2.87 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.58 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 37' ' ' SER . 61.2 t -104.72 146.89 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.03 116.82 32.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.662 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.858 HG22 ' CG ' ' A' ' 41' ' ' ARG . 25.9 pt -139.63 149.78 60.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 177.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.83 151.37 20.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.436 2.757 . . . . 0.0 113.071 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.5 -25.33 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 21.7 mm-40 -59.11 -32.47 69.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.316 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 41' ' ' ARG . 13.3 m0 -75.52 -44.06 45.61 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.434 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.1 m-70 -51.18 -52.17 46.76 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.628 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.36 -49.44 77.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 67.6 mmt-85 -71.87 -46.33 58.26 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.456 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.531 HD22 HG11 ' B' ' 39' ' ' VAL . 92.5 mt -66.42 -46.28 77.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.994 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.698 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 93.4 mmm -64.85 -24.66 67.61 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -67.16 -48.44 68.0 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.243 0.544 . . . . 0.0 109.826 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.52 -35.05 68.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.847 0.832 . . . . 0.0 108.807 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.96 -20.91 66.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.017 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' B' ' 26' ' ' MET . 97.4 mttt -79.53 -43.76 22.47 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.658 ' HB2' ' HD2' ' B' ' 32' ' ' LYS . 46.9 mt-10 -60.22 -54.5 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.658 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 11.2 mptt -92.61 -1.57 56.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 t30 63.66 64.09 0.81 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.93 0.871 . . . . 0.0 110.189 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.737 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.3 mt -132.4 168.74 17.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.386 -177.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 78.1 p -114.12 162.29 16.68 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.4 pt? -61.2 -29.31 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.139 0.427 . . . . 0.0 110.154 173.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.53 -46.66 86.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.922 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.705 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 28.1 m-20 -65.17 -42.9 93.25 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.054 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.531 HG11 HD22 ' B' ' 25' ' ' LEU . 61.1 t -63.83 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.073 0.463 . . . . 0.0 110.683 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.655 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.94 -39.07 92.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.492 178.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.781 HH11 HD23 ' B' ' 42' ' ' LEU . 3.0 tmt_? -61.02 -45.47 94.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.247 172.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.781 HD23 HH11 ' B' ' 41' ' ' ARG . 79.8 mt -64.63 -29.39 70.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.299 0.571 . . . . 0.0 110.392 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -70.64 -46.58 63.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.399 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.61 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -67.65 -29.16 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.785 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.85 -45.34 92.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' A' ' 50' ' ' ASN . 33.1 tt0 -73.08 -31.86 64.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.476 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 63.3 t80 -59.96 -41.82 92.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.726 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.9 mt -65.39 -54.59 26.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.575 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.67 -26.19 68.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.156 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -73.94 -35.54 64.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.567 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 73.1 m-70 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -98.52 131.01 45.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 110.84 -171.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -133.57 128.77 35.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.699 177.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.0 120.54 6.71 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.443 -0.885 . . . . 0.0 112.025 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.4 t -109.01 146.63 14.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.56 127.89 55.86 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.0 pt -138.36 145.72 48.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 123.261 0.351 . . . . 0.0 110.588 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 27.7 Cg_exo -63.06 171.37 6.28 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.576 2.85 . . . . 0.0 114.569 -173.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.85 -44.11 94.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.105 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' CD ' HH22 ' A' ' 24' ' ' ARG . 8.0 mm-40 -54.21 -29.52 46.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.49 0.662 . . . . 0.0 111.127 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.653 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 8.3 m0 -76.63 -56.81 4.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.615 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.954 ' CD2' HG21 ' B' ' 11' ' ' ILE . 40.2 t-80 -54.11 -36.15 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.71 -66.2 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.316 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.434 HH22 ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -77.28 -38.74 50.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.3 -43.31 98.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.787 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.687 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 88.7 mmm -64.57 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.6 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.94 -41.75 90.9 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.862 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 24' ' ' ARG . 83.2 mt -61.96 -37.48 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.317 0.579 . . . . 0.0 109.663 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.16 -24.77 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.614 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HG2' ' O ' ' A' ' 26' ' ' MET . 32.1 mmtp -75.24 -40.26 59.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.96 -39.22 94.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.367 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -95.43 -3.19 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.85 40.7 7.31 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.221 0.534 . . . . 0.0 111.047 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.1 mt -128.43 166.96 17.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.715 -177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.3 p -106.3 165.22 11.41 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -58.99 -36.32 74.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.818 0.342 . . . . 0.0 110.408 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.747 ' HA ' HG22 ' B' ' 15' ' ' VAL . 13.0 m -56.82 -42.05 78.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.541 174.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.559 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 25.2 m-20 -64.31 -52.08 60.28 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.774 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.15 -33.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.643 ' HA ' HD11 ' B' ' 44' ' ' ILE . 2.9 t -69.41 -56.58 7.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.233 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 3.5 ppt_? -62.97 -28.02 69.8 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.635 -0.665 . . . . 0.0 112.179 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' ARG . 67.9 mt -72.2 -23.36 61.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 109.854 173.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -69.94 -42.44 73.25 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.192 177.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.729 ' CG2' ' HA ' ' B' ' 40' ' ' CYS . 29.2 pt -70.29 -25.88 28.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.19 -46.56 88.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.409 0.624 . . . . 0.0 109.687 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.8 -32.46 69.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.933 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.616 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 73.7 t80 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.234 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 86.8 mt -65.71 -46.92 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -46.4 89.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.975 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -174.624 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.677 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.954 HG21 ' CD2' ' A' ' 22' ' ' HIS . 35.0 mm -107.19 142.28 20.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.22 117.45 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.146 0.498 . . . . 0.0 110.212 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.772 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.89 140.51 50.74 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.665 -178.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.33 115.76 5.23 Favored Glycine 0 N--CA 1.44 -1.076 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.792 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 37' ' ' SER . 20.5 t -105.03 156.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -136.65 123.82 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.704 0.288 . . . . 0.0 111.008 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.515 ' HB ' ' HD2' ' B' ' 18' ' ' PRO . 17.3 pt -147.86 160.92 36.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.46 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 9.2 Cg_endo -50.61 147.31 17.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.565 2.843 . . . . 0.0 112.767 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.08 -30.24 68.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.194 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HB3' ' NH2' ' B' ' 24' ' ' ARG . 38.7 mt-10 -54.62 -35.31 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.565 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.614 ' O ' ' HB2' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -80.39 -32.31 37.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' A' ' 13' ' ' LEU . 18.0 m-70 -63.37 -46.95 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.063 174.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.89 -55.28 36.89 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.833 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.573 ' NH2' ' HB3' ' B' ' 20' ' ' GLU . 0.3 OUTLIER -75.07 -35.92 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.778 -175.132 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 3.5 mm? -66.56 -47.5 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.652 ' O ' ' HG2' ' B' ' 30' ' ' LYS . 71.3 mmm -62.81 -34.19 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.73 -41.2 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.503 ' O ' ' HD3' ' B' ' 32' ' ' LYS . 72.1 mt -63.41 -37.29 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.913 0.864 . . . . 0.0 108.749 172.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.19 -21.48 66.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.326 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 26' ' ' MET . 35.3 mmtp -75.35 -37.66 60.54 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -61.01 -37.78 83.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.331 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' B' ' 28' ' ' ILE . 13.2 mptt -92.17 -4.28 54.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.861 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.52 39.95 6.46 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.363 0.601 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.9 mt -133.81 168.74 18.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.892 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.7 p -103.57 163.93 11.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.56 -32.32 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.37 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.621 ' HA ' HG22 ' A' ' 15' ' ' VAL . 18.1 m -57.34 -44.94 84.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.774 174.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.729 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 64.1 m-20 -64.75 -44.96 88.42 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.883 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.59 -32.28 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.566 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.729 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.67 -61.65 2.17 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.497 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.729 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 4.1 ppt_? -61.69 -34.71 76.23 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 67.8 mt -66.62 -30.84 71.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.554 -0.716 . . . . 0.0 110.289 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.94 -27.37 62.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.142 175.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 40' ' ' CYS . 17.6 mt -68.1 -40.74 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.64 -33.46 72.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.218 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -72.63 -39.98 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.469 0.652 . . . . 0.0 109.432 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.28 -45.27 94.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.691 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.64 -49.29 66.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.01 -31.65 70.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.499 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.28 -27.59 53.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.764 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 . . . . . 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.024 -174.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.402 HG13 ' CE1' ' B' ' 22' ' ' HIS . 39.0 mm . . . . . 0 C--O 1.239 0.516 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -100.74 114.72 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.704 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.768 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -110.78 165.82 11.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 -178.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.857 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -134.85 122.67 2.93 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.198 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.711 ' HA ' ' HB3' ' B' ' 37' ' ' SER . 13.8 t -105.56 163.78 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 15' ' ' VAL . 7.6 m-85 -128.92 123.76 33.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.2 pt -139.41 148.15 55.41 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.291 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 37.5 Cg_endo -66.45 162.99 34.13 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 123.305 2.67 . . . . 0.0 113.308 -177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -17.79 64.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.536 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.44 -38.24 63.35 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.838 170.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.64 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 12.7 m0 -80.25 -41.24 25.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.811 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 26' ' ' MET . 7.1 m-70 -60.51 -55.55 32.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.026 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . 32.2 t70 -60.98 -58.11 9.79 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.146 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 1.8 mpt_? -77.85 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 39.8 mt -66.59 -40.91 89.11 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.449 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.647 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 79.7 mtp -70.48 -27.0 63.87 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.176 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.88 -43.38 93.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.213 0.53 . . . . 0.0 109.638 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.21 -34.82 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.739 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.07 68.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.153 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.9 mttm -78.18 -36.67 47.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.16 -38.8 90.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.313 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.53 -3.88 54.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.935 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 63.37 43.43 6.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.356 0.598 . . . . 0.0 111.956 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.29 165.79 24.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -107.28 161.71 14.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.346 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 HD13 ' B' ' 13' ' ' LEU . 2.2 pt? -55.95 -42.92 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.88 0.309 . . . . 0.0 111.428 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.016 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.0 m -58.01 -43.8 86.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.706 0.289 . . . . 0.0 110.994 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.594 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.0 m-20 -65.01 -48.14 74.98 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.24 -37.27 79.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 t -67.37 -42.78 82.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HG2' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -61.17 -46.79 89.07 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.302 0.641 . . . . 0.0 111.182 173.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 69.1 mt -67.41 -24.24 65.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.29 0.567 . . . . 0.0 109.749 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.36 67.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.097 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.619 ' HB ' ' CZ2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -66.52 -41.14 88.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.665 -178.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -63.24 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.475 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.68 -33.45 72.57 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.483 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 78.2 t80 -64.22 -44.82 90.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD11 ' HE1' ' B' ' 21' ' ' TRP . 84.8 mt -65.27 -47.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.983 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -37.08 78.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.455 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -177.866 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 22' ' ' HIS . 12.5 mm -113.41 156.89 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.857 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 21.4 tptm -99.6 125.68 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 -177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.781 HD13 HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.26 139.37 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.423 -177.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.708 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -103.56 118.98 6.2 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.522 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 1.016 HG22 ' HA ' ' A' ' 37' ' ' SER . 60.8 t -106.0 138.59 30.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.99 124.25 50.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -176.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.662 HG22 ' HG2' ' A' ' 41' ' ' ARG . 35.9 pt -141.8 153.33 64.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.347 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 75.0 Cg_exo -51.35 148.74 18.54 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.62 2.88 . . . . 0.0 113.493 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 20.3 pt20 -58.4 -45.07 89.07 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.632 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.596 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 54.4 mm-40 -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.433 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.619 ' CZ2' ' HB ' ' A' ' 44' ' ' ILE . 7.8 t90 -82.87 -37.84 23.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.402 ' CE1' HG13 ' A' ' 11' ' ' ILE . 39.7 t-80 -56.97 -45.72 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.254 172.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.29 -51.67 68.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.662 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.6 mpt_? -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.234 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 25' ' ' LEU . 9.2 mt -62.85 -52.16 64.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.929 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' B' ' 29' ' ' ALA . 86.6 mtp -67.38 -25.32 65.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.45 -42.8 82.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.149 0.499 . . . . 0.0 109.768 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.78 -33.51 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 109.427 173.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.36 -20.54 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.314 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 26' ' ' MET . 51.0 mttm -76.92 -45.63 27.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -58.23 -41.41 84.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.347 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.25 -4.21 46.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 59.86 44.48 13.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.623 0.725 . . . . 0.0 110.725 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.627 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 94.1 mt -128.34 171.28 12.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.571 -175.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -101.62 152.55 20.67 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -59.88 -28.95 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.127 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.711 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 15.6 m -56.94 -45.39 82.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.546 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -64.77 -36.71 85.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.18 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.217 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.8 m -67.01 -49.17 66.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.043 0.449 . . . . 0.0 110.6 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.64 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -52.96 -47.63 67.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.298 0.639 . . . . 0.0 112.24 171.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' B' ' 41' ' ' ARG . 89.9 mt -66.58 -28.31 68.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.401 0.62 . . . . 0.0 110.183 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.5 -26.7 61.01 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.131 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.58 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 12.7 mt -69.47 -40.71 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.95 -40.64 81.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.478 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.24 -40.44 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.087 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.88 -45.47 94.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.73 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.4 mt -64.28 -40.55 96.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.715 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.58 -54.77 38.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.083 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.18 -18.77 55.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.909 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.062 0.458 . . . . 0.0 110.674 178.444 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.845 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 25.2 mm . . . . . 0 C--O 1.24 0.587 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -101.43 132.4 47.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 111.125 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -131.88 165.46 23.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.705 -177.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.03 142.36 13.88 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.224 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.638 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.9 t -128.69 165.68 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -173.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' HG12 ' A' ' 15' ' ' VAL . 5.0 m-85 -132.43 135.92 46.4 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 171.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.579 HG13 ' CD2' ' A' ' 22' ' ' HIS . 4.2 pt -154.04 149.98 21.75 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.532 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 16.4 Cg_exo -66.89 -178.72 1.39 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.413 2.742 . . . . 0.0 114.694 -171.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -56.55 -60.89 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.884 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.54 -11.41 10.97 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 5.2 m95 -79.75 -56.53 4.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.697 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.5 m-70 -59.42 -36.37 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.105 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.06 -56.2 25.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.713 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.22 -35.66 58.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD22 HG11 ' A' ' 39' ' ' VAL . 29.9 mt -62.6 -51.87 65.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.802 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.683 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 63.3 mtm -67.31 -28.13 67.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.94 -48.51 71.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 109.922 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.85 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.82 -24.08 67.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.64 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HG3' ' O ' ' A' ' 26' ' ' MET . 88.6 mttt -79.4 -41.03 28.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 32' ' ' LYS . 14.4 tp10 -61.91 -56.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.731 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HD2' ' HG3' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -93.27 -2.17 55.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 t30 64.88 67.54 0.54 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.195 0.998 . . . . 0.0 110.618 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.676 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 67.2 mt -134.27 166.96 21.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.401 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.3 p -104.29 164.25 11.86 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -58.76 -36.41 74.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.788 ' HA ' HG22 ' B' ' 15' ' ' VAL . 8.0 m -59.14 -39.98 84.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.849 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 m-20 -61.77 -42.63 99.24 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.251 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.629 HG11 HD22 ' A' ' 25' ' ' LEU . 50.9 t -62.65 -39.14 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -176.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' B' ' 44' ' ' ILE . 14.7 m -68.31 -56.86 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.83 0.347 . . . . 0.0 111.286 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.673 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.6 OUTLIER -58.1 -35.63 71.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 175.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 89.0 mt -71.31 -23.66 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.845 -0.535 . . . . 0.0 110.197 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.54 -46.82 62.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.769 HG23 ' HA ' ' B' ' 40' ' ' CYS . 2.9 pt -68.83 -25.24 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.486 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.76 -48.67 80.76 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.136 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.57 -25.18 60.25 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 109.697 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 69.3 t80 -62.78 -47.13 84.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.218 174.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 82.3 mt -67.71 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.449 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.34 -39.78 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.654 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.791 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 11.6 mm -122.04 148.33 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.974 0.387 . . . . 0.0 110.01 -173.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.25 126.82 46.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 110.974 -172.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.446 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -133.62 167.24 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.627 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.89 125.19 2.32 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.865 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.788 HG22 ' HA ' ' A' ' 37' ' ' SER . 41.3 t -107.58 145.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -113.83 120.9 42.34 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.71 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.7 pt -142.43 155.43 64.17 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.116 -175.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 65.1 Cg_exo -53.46 150.82 25.7 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.883 3.055 . . . . 0.0 113.587 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 2.9 pt20 -68.44 -30.1 68.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.779 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 25.1 mt-10 -55.67 -34.3 64.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.843 0.83 . . . . 0.0 110.08 174.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.71 ' HE3' HD12 ' B' ' 17' ' ' ILE . 28.0 m0 -75.52 -42.93 51.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.7 -1.137 . . . . 0.0 109.46 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.845 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 33.0 m-70 -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.68 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.84 -51.82 68.01 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 120.93 0.395 . . . . 0.0 111.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.16 -42.16 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.015 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 44' ' ' ILE . 83.4 mt -66.07 -40.13 90.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.135 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.619 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 63.9 mtm -63.02 -37.92 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.69 -42.49 91.17 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.342 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.47 -34.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.552 0.691 . . . . 0.0 109.748 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.03 -28.84 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.465 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 26' ' ' MET . 85.3 mttt -78.8 -33.24 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.23 -46.0 89.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.051 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -95.61 -4.83 43.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 59.12 45.51 14.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.751 0.786 . . . . 0.0 110.063 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -133.99 170.89 14.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.269 -175.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -103.04 161.7 13.55 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.918 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.578 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.3 pt? -59.97 -29.08 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.4 m -57.76 -45.19 86.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.96 171.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.564 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 52.6 m-20 -65.98 -49.74 66.76 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.97 -33.9 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.728 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.769 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.9 t -65.89 -55.24 18.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.397 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 7.0 ppt_? -67.37 -27.51 67.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.2 -33.14 73.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.338 0.59 . . . . 0.0 109.847 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.43 -19.58 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.261 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 40' ' ' CYS . 64.3 mt -67.56 -40.9 85.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -57.92 -39.48 78.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.746 174.537 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.58 -43.38 76.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.292 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.23 -38.99 85.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.041 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.3 mt -67.34 -51.32 53.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.825 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -62.84 -26.77 68.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.42 -36.15 68.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.419 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.525 -177.62 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 17.2 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 53.1 tptt -100.06 116.92 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -119.98 139.78 51.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.266 -179.027 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.01 120.02 6.52 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.103 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' B' ' 37' ' ' SER . 35.4 t -104.91 157.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.03 118.59 25.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.5 HD11 ' HD2' ' A' ' 22' ' ' HIS . 28.2 pt -130.62 145.73 58.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.696 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 51.1 Cg_exo -56.09 153.38 32.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.61 2.873 . . . . 0.0 112.08 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.57 -40.35 61.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.32 -35.57 80.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.502 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.117 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 26.8 t90 -83.0 -27.05 30.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.959 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' HD2' HD11 ' A' ' 17' ' ' ILE . 53.6 t-80 -63.91 -51.34 64.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.7 172.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.61 -43.22 97.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.074 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -72.73 -36.54 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.321 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' TRP . 3.9 mm? -67.69 -31.69 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.542 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 86.1 mtp -64.98 -40.14 94.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.339 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.377 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.39 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.322 0.582 . . . . 0.0 109.696 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.62 -30.39 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.847 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.32 -37.0 60.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.403 0.62 . . . . 0.0 109.485 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -65.63 -42.72 91.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.322 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -2.6 47.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m120 66.2 53.19 1.07 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.582 0.706 . . . . 0.0 111.174 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 91.6 mt -134.37 167.67 20.31 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.276 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.0 p -103.95 165.61 10.93 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.1 pt? -56.24 -37.97 70.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 109.975 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.777 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.6 m -58.33 -44.1 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.722 174.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.3 m-20 -63.1 -50.0 72.22 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.89 -35.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.562 0.22 . . . . 0.0 111.117 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.82 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 3.6 t -68.28 -50.43 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.232 0.539 . . . . 0.0 110.198 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.994 ' HG3' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -55.53 -47.56 76.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 172.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.5 mt -68.02 -18.22 64.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.363 . . . . 0.0 110.28 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.569 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -70.43 -36.41 73.97 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.595 174.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 20.6 mt -66.75 -40.61 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.19 -41.56 88.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.6 -33.8 71.45 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.669 0.747 . . . . 0.0 109.033 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.98 -48.63 78.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.625 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 77.1 mt -68.66 -46.51 68.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.011 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.85 -49.43 75.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.792 -173.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.145 -173.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.962 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mm -104.09 152.94 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -99.47 121.07 40.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.889 0.376 . . . . 0.0 110.589 -173.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -132.97 135.23 45.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.528 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -104.56 119.23 6.18 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.336 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 37' ' ' SER . 42.0 t -103.92 152.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 4.2 m-85 -117.26 119.13 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.781 175.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.994 HG22 ' HG3' ' A' ' 41' ' ' ARG . 17.5 pt -135.23 147.7 63.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.576 ' HB2' ' HG2' ' B' ' 20' ' ' GLU . 17.9 Cg_endo -59.43 160.83 18.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.608 2.872 . . . . 0.0 113.145 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -30.32 70.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.028 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.576 ' HG2' ' HB2' ' B' ' 18' ' ' PRO . 4.9 pt-20 -60.78 -26.11 67.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 111.028 175.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.605 ' HE3' HD12 ' B' ' 17' ' ' ILE . 8.2 m0 -78.78 -44.0 24.19 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' B' ' 26' ' ' MET . 14.5 m-70 -59.6 -36.54 76.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.785 0.326 . . . . 0.0 110.398 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.64 -60.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.48 -47.68 31.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.856 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.4 mm? -64.22 -52.64 57.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -175.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 87.0 mtp -66.69 -28.62 68.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.0 -40.88 87.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.232 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.49 -40.22 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.689 . . . . 0.0 109.633 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.34 -25.11 67.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.997 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.33 -40.23 51.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.404 0.621 . . . . 0.0 109.331 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.86 -44.41 93.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.973 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.05 -3.7 55.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.281 -173.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m120 64.39 48.18 2.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 86.9 mt -124.05 166.19 16.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.876 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -104.47 157.74 16.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.4 pt? -59.88 -29.02 68.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.442 . . . . 0.0 109.914 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 15' ' ' VAL . 16.6 m -58.74 -44.66 90.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.658 173.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 55.4 m-20 -63.62 -42.41 98.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.007 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.27 -39.65 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.0 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . 0.82 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -63.18 -57.98 8.71 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.945 0.402 . . . . 0.0 110.146 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 1.117 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.549 0.74 . . . . 0.0 112.169 173.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.4 mt -64.89 -28.52 69.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 0.0 110.571 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -73.73 -23.9 59.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.125 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.715 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 22.5 mt -70.53 -34.02 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.8 -41.78 91.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.975 173.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 50' ' ' ASN . 5.2 tp10 -67.42 -34.93 78.25 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.97 -41.97 93.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.655 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.71 -58.62 3.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.64 -29.84 68.31 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 46' ' ' GLU . 17.2 t-20 -80.56 -32.82 36.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.804 0.335 . . . . 0.0 111.234 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 . . . . . 0 C--N 1.327 -0.372 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.225 -179.252 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 7' ' ' LEU . 80.5 mtm180 52.17 67.13 4.29 Favored Pre-proline 0 N--CA 1.465 0.285 0 C-N-CA 122.713 0.405 . . . . 0.0 111.442 -175.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.52 -27.93 10.55 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.744 2.296 . . . . 0.0 111.75 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.03 168.15 25.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.982 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 tptt 64.3 -67.22 0.11 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.204 0.94 . . . . 0.0 112.698 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 93.6 mt -85.88 25.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.08 0.467 . . . . 0.0 111.774 -170.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.22 -40.61 12.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 46.09 49.75 12.13 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.908 0.755 . . . . 0.0 112.062 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.24 102.69 0.2 Allowed Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.198 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.62 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 26.3 mm -120.66 156.24 23.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' B' ' 16' ' ' TYR . 20.5 tptm -99.45 132.44 44.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.563 0.697 . . . . 0.0 111.917 -168.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -130.3 135.26 47.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.519 175.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 109.22 3.44 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.707 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 12.7 t -104.08 146.68 11.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.655 0.264 . . . . 0.0 110.397 -174.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 6.4 m-85 -127.55 120.0 27.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.219 174.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HE3' ' A' ' 21' ' ' TRP . 26.3 pt -129.12 161.23 59.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.587 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.36 156.29 22.0 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.779 2.319 . . . . 0.0 112.886 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG2' ' HD2' ' B' ' 6' ' ' LYS . 21.1 tp60 -60.54 -51.33 69.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 8.4 mm-40 -60.22 -19.76 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.704 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -81.6 -51.63 8.03 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -58.2 -37.09 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.738 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.42 -56.52 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.235 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 67.8 mmt-85 -74.19 -34.29 63.72 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.628 0.251 . . . . 0.0 110.489 -173.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.59 -46.82 81.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.9 mmm -65.86 -28.66 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.75 -52.27 57.89 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.334 0.588 . . . . 0.0 109.576 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.75 -32.88 57.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.646 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -27.55 69.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.552 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 26' ' ' MET . 34.3 mmtp -75.95 -37.1 58.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.69 -33.85 76.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.823 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.2 -4.39 42.59 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 62.23 38.89 13.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.148 0.975 . . . . 0.0 110.297 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.609 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 97.1 mt -130.77 169.87 15.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.598 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -104.85 161.66 13.99 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.4 pt? -58.89 -31.32 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.052 0.387 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.587 ' HA ' HG22 ' B' ' 15' ' ' VAL . 19.0 m -56.81 -41.39 77.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.618 176.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 m-20 -66.44 -42.43 87.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.778 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.4 -36.11 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.933 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 1.6 t -65.78 -51.94 55.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 3.8 tmt_? -48.98 -46.37 43.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.589 169.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 95.6 mt -66.52 -25.9 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.956 0.408 . . . . 0.0 111.067 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB1' ' C ' ' B' ' 43' ' ' ALA . . . -70.25 -49.07 53.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.09 -177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.8 pt -69.03 -28.53 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.813 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HD3' ' HZ2' ' B' ' 21' ' ' TRP . 26.2 tptp -59.31 -49.59 77.23 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.235 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.79 -25.74 59.26 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 71.0 t80 -61.78 -44.19 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.753 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 92.3 mt -65.29 -52.38 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.369 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.58 -27.61 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.11 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -84.68 -41.72 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -89.2 -14.73 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -139.3 130.51 26.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.057 0.455 . . . . 0.0 109.864 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.38 -2.14 29.47 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -83.6 -47.92 10.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp 57.42 72.35 0.52 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.66 0.6 . . . . 0.0 111.002 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.838 -177.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' B' ' 7' ' ' LEU . 52.3 mtm180 62.52 74.46 0.47 Allowed Pre-proline 0 N--CA 1.466 0.348 0 C-N-CA 122.986 0.514 . . . . 0.0 110.779 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.516 ' HB2' ' CD2' ' B' ' 5' ' ' TYR . 10.4 Cg_exo -72.4 -51.44 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.784 2.323 . . . . 0.0 112.042 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' B' ' 4' ' ' PRO . 29.7 p90 -149.19 160.95 42.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.945 -176.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.401 ' HD2' ' HG2' ' A' ' 19' ' ' GLN . 47.2 tptt 69.59 -51.35 0.62 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.19 0.931 . . . . 0.0 111.999 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.443 ' O ' ' HD2' ' B' ' 3' ' ' ARG . 98.5 mt -85.35 11.97 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.04 0.448 . . . . 0.0 111.73 -173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.43 -25.67 25.12 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 29.4 t30 48.09 58.27 5.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.944 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.31 105.45 0.25 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.928 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 35.4 mm -110.98 151.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 20.0 tptm -99.59 122.62 42.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.413 0.625 . . . . 0.0 110.952 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.707 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -131.03 132.12 44.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.155 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.418 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -103.7 120.83 6.85 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.54 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.1 t -104.76 151.54 7.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 11.4 m-85 -128.05 113.47 15.84 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.085 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.774 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.2 pt -133.61 155.41 80.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.35 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.8 158.1 34.82 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 123.679 2.919 . . . . 0.0 113.682 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.466 ' HA ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -70.34 -22.02 62.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.117 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 5.5 mm-40 -50.44 -44.12 55.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.53 0.681 . . . . 0.0 110.165 172.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.774 ' HE3' HD12 ' B' ' 17' ' ' ILE . 42.1 m0 -77.6 -33.74 53.67 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.38 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.62 ' NE2' ' HB ' ' A' ' 11' ' ' ILE . 21.6 m-70 -60.65 -38.43 84.83 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.536 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' B' ' 24' ' ' ARG . 10.2 t70 -60.48 -61.18 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.473 . . . . 0.0 110.835 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 13.9 mmt180 -72.46 -51.48 19.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -170.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.2 mm? -65.57 -44.84 85.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.375 -173.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 91.5 mmm -67.06 -30.46 70.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.613 -0.435 . . . . 0.0 112.028 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.28 -39.7 89.57 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.599 0.714 . . . . 0.0 109.704 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.14 -35.46 75.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.665 0.745 . . . . 0.0 109.063 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.92 -16.65 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.662 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 26' ' ' MET . 28.2 mmtp -78.29 -50.74 11.28 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 174.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.8 -37.95 80.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -91.67 -14.58 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.704 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.27 54.2 3.29 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.845 0.831 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.682 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.2 mt -135.22 168.92 18.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.632 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.6 p -103.99 156.22 18.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 17' ' ' ILE . 2.7 pt? -60.31 -29.19 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.517 ' HB3' HG22 ' A' ' 15' ' ' VAL . 9.4 m -57.31 -42.16 81.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.271 174.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 38.5 m-20 -64.96 -47.06 78.96 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.708 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 44.4 t -63.54 -38.58 82.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.364 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.612 ' HA ' HG23 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.88 -51.73 63.2 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.417 0.627 . . . . 0.0 109.513 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.639 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.32 -49.35 67.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.919 0.888 . . . . 0.0 111.971 171.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 97.2 mt -64.28 -32.01 73.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.204 0.526 . . . . 0.0 110.429 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.443 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -73.37 -23.25 60.16 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.535 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 40.5 mt -68.54 -44.16 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -60.02 -33.71 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.169 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.55 -44.28 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.258 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.453 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 64.7 t80 -60.85 -40.23 92.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.272 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 88.5 mt -65.87 -50.47 64.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -62.78 -34.3 76.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -173.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -77.6 -24.69 49.58 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.146 -0.346 . . . . 0.0 111.763 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 66.3 m-70 -95.07 -49.81 5.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.522 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -110.39 137.5 48.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.708 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.32 24.46 12.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.67 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.38 -22.86 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 59.45 36.73 23.18 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.24 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.922 -179.344 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -108.57 102.08 45.91 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.899 0.35 . . . . 0.0 110.492 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.541 ' HG2' ' HB2' ' A' ' 7' ' ' LEU . 71.9 Cg_endo -83.37 129.83 5.21 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.577 2.185 . . . . 0.0 112.296 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 14.6 p90 -79.9 -4.09 50.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.947 -176.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.675 ' NZ ' ' OE2' ' B' ' 20' ' ' GLU . 28.4 tptp -90.97 -32.4 15.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.329 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.541 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . 89.2 mt -94.0 -43.63 8.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 4' ' ' PRO . 3.8 mm? -96.77 83.49 3.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.073 0.463 . . . . 0.0 110.013 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' TYR . 30.0 t-20 -152.88 141.25 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.25 136.69 4.35 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.785 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 12.0 mm -120.06 152.56 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -99.99 130.57 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 111.512 -174.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.479 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.7 122.65 7.58 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.499 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.79 HG22 ' HB3' ' B' ' 37' ' ' SER . 6.4 t -112.26 163.68 8.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.63 128.16 30.62 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.944 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 10' ' ' GLY . 4.8 pt -150.81 153.64 33.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.942 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 40.7 Cg_exo -58.35 162.02 12.94 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.594 2.863 . . . . 0.0 113.567 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.962 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 20.7 pt20 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.464 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.631 ' OE2' ' NZ ' ' B' ' 6' ' ' LYS . 1.6 pm0 -61.86 -19.7 62.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 111.193 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 8.4 m95 -79.19 -48.36 14.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 1.064 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -61.21 -33.97 74.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.73 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.09 -53.83 53.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.373 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -73.36 -30.71 63.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.839 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB2' ' A' ' 36' ' ' LEU . 70.9 mt -63.81 -51.18 65.92 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.8 mtt -63.17 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.77 -56.72 14.95 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.293 0.568 . . . . 0.0 109.994 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 72.4 mt -63.2 -42.91 98.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.68 -22.11 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.434 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 30' ' ' LYS . 34.1 ttpt -78.3 -51.4 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.218 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.95 -38.98 93.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 4.3 mptp? -93.16 -4.34 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -171.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 62.73 61.16 1.21 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 122.014 0.911 . . . . 0.0 110.043 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.3 mt -135.54 166.82 22.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.701 HG22 HD23 ' A' ' 36' ' ' LEU . 1.3 m -109.78 158.47 18.11 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.97 -36.62 75.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.04 0.448 . . . . 0.0 110.135 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.973 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.4 p -58.55 -43.11 89.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.639 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.5 m-20 -64.68 -45.47 86.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.85 -32.03 55.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.68 0.276 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 2.6 t -69.06 -56.13 8.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.804 0.335 . . . . 0.0 110.639 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.652 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.6 ppt_? -59.04 -35.58 73.56 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.987 -0.445 . . . . 0.0 112.165 173.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.1 mt -68.06 -23.28 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.661 -0.649 . . . . 0.0 109.545 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.53 -31.55 65.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.548 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.818 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 29.0 mm -64.61 -49.2 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.6 -36.17 73.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.553 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' CD2' ' B' ' 47' ' ' TYR . 5.7 tp10 -71.53 -39.05 70.98 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.631 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 63.0 t80 -62.93 -47.47 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.289 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.6 mt -66.28 -50.87 62.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.222 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.0 -40.18 90.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.434 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.99 -26.64 43.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.285 -173.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' HE2' ' CD ' ' B' ' 46' ' ' GLU . 50.8 m-70 -88.28 -58.27 2.62 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.431 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -95.89 77.52 3.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -70.39 -2.08 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.319 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.48 77.19 9.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.267 0.556 . . . . 0.0 110.347 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -82.08 -61.69 1.84 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.39 174.59 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -105.94 109.9 63.59 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.458 ' HB3' HD12 ' B' ' 7' ' ' LEU . 10.1 Cg_exo -71.29 83.1 1.01 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.851 2.367 . . . . 0.0 111.128 177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -82.58 -22.08 34.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.059 0.457 . . . . 0.0 110.322 -174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.631 ' NZ ' ' OE2' ' A' ' 20' ' ' GLU . 19.7 tptp -100.28 -20.23 15.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.338 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' B' ' 4' ' ' PRO . 92.2 mt -88.31 -51.85 5.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.655 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' B' ' 8' ' ' LEU . 4.2 mm? -93.16 46.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.962 ' OD1' ' N ' ' A' ' 19' ' ' GLN . 22.5 t-20 -78.22 132.0 37.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.217 -177.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . -163.13 121.76 1.04 Allowed Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.832 -178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 1.064 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 26.5 mm -104.76 149.96 7.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.13 128.86 45.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 0.0 110.276 -173.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -132.07 165.76 23.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.687 -177.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -140.31 122.11 2.11 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.243 -0.979 . . . . 0.0 111.987 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.973 HG22 ' HA ' ' A' ' 37' ' ' SER . 40.4 t -104.74 144.88 13.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.13 119.04 37.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.627 HD12 ' HE3' ' B' ' 21' ' ' TRP . 39.1 pt -142.11 154.67 64.99 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.43 170.2 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 124.105 3.203 . . . . 0.0 114.103 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -80.72 -36.51 32.02 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.715 -175.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.675 ' OE2' ' NZ ' ' A' ' 6' ' ' LYS . 3.9 pm0 -61.27 -21.74 64.2 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.435 0.635 . . . . 0.0 110.026 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.818 ' CH2' ' HB ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -79.6 -47.16 15.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.987 177.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.536 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.2 m-70 -57.98 -37.99 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.96 -55.51 33.97 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.29 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 12.3 mpt_? -74.96 -35.92 62.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -176.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.523 HD23 HD12 ' B' ' 28' ' ' ILE . 59.1 mt -67.95 -34.39 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.5 mtt -66.71 -33.32 75.39 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.041 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.61 -40.82 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.523 HD12 HD23 ' B' ' 25' ' ' LEU . 82.4 mt -65.91 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.59 174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.023 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -84.1 -58.25 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.805 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.479 ' HB3' ' HD2' ' B' ' 32' ' ' LYS . 27.9 tt0 -62.3 -42.49 99.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.893 -173.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' HB3' ' B' ' 31' ' ' GLU . 2.5 mptp? -95.5 -8.33 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.153 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 61.27 53.71 3.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.725 0.774 . . . . 0.0 110.592 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -128.82 169.33 14.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.706 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -104.58 153.81 20.72 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -58.6 -33.54 70.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.004 0.431 . . . . 0.0 110.605 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.79 ' HB3' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -57.59 -40.6 79.41 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.927 173.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 48.9 m-20 -65.07 -50.29 66.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.478 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.66 -38.15 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.636 ' SG ' HG12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -65.33 -60.43 2.99 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.762 0.315 . . . . 0.0 110.531 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.591 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 2.5 ppt_? -63.31 -33.61 75.89 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 41' ' ' ARG . 80.5 mt -68.05 -31.43 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.357 0.599 . . . . 0.0 109.696 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.3 -24.18 62.09 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.278 176.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 57.7 mt -66.96 -42.99 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -55.8 -48.7 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' CD ' ' HE2' ' A' ' 51' ' ' HIS . 38.9 tt0 -71.81 -27.58 63.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.077 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.616 ' CD2' ' HG2' ' A' ' 46' ' ' GLU . 62.9 t80 -62.03 -45.91 91.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.422 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 38.8 mt -69.6 -51.14 37.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.747 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.411 ' OD1' ' HE2' ' B' ' 55' ' ' LYS . 20.6 t70 -59.54 -38.43 81.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.403 -173.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -80.99 -19.28 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.588 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 49.4 m170 -86.19 -47.59 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.313 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -101.94 97.93 8.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.58 -6.62 59.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.129 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -89.76 109.13 20.14 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.411 ' HE2' ' OD1' ' B' ' 49' ' ' ASP . 20.1 mmmt -112.27 -55.95 2.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.534 0.683 . . . . 0.0 109.936 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.248 1.01 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.892 178.507 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -120.27 95.48 49.07 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' HG2' ' A' ' 6' ' ' LYS . 72.7 Cg_endo -76.98 -14.7 16.87 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.368 2.045 . . . . 0.0 112.122 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 62.98 13.64 6.85 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.521 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HG2' ' HB2' ' A' ' 4' ' ' PRO . 70.7 mmtt -93.76 -50.96 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.876 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.0 tp 55.3 51.99 12.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.628 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.5 mt 59.1 33.23 22.76 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.843 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 56.08 53.79 8.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.885 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.35 134.58 3.36 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.158 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mm -132.47 140.23 48.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB2' ' HE1' ' B' ' 16' ' ' TYR . 5.0 tppp? -100.32 130.02 46.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.322 0.582 . . . . 0.0 110.83 -171.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD13 ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -123.93 139.1 54.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.526 178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.3 104.81 2.68 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.698 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' B' ' 37' ' ' SER . 13.1 t -104.23 158.22 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -132.57 133.71 44.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.297 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.7 pt -136.21 150.4 70.85 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.563 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.96 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 71.8 Cg_exo -51.73 147.44 24.46 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.453 2.769 . . . . 0.0 113.013 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 1.018 ' HG3' ' HA ' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -57.75 -56.23 24.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.96 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 13.5 mm-40 -58.43 -27.84 64.71 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.96 ' HE3' ' HD2' ' A' ' 18' ' ' PRO . 21.1 t90 -82.42 -37.2 25.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.54 ' O ' ' HG3' ' A' ' 26' ' ' MET . 59.2 t-80 -62.11 -40.07 94.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.801 172.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 27.1 t70 -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.899 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 11.3 mpt_? -75.73 -27.91 58.34 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.754 0.312 . . . . 0.0 110.267 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.71 -36.33 83.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.268 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 61.1 mtm -64.56 -42.21 95.81 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.304 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.02 -46.12 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.01 -35.72 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.254 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.95 -38.19 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.396 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.45 -30.83 53.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 110.47 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.98 -41.38 97.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -95.72 -4.46 44.1 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 62.81 44.76 6.12 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.56 0.695 . . . . 0.0 110.456 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.2 mt -130.83 168.95 16.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.238 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.6 p -103.26 159.25 15.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.643 174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.4 pt? -59.12 -32.8 70.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.108 0.48 . . . . 0.0 110.119 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.85 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.3 m -57.48 -41.16 80.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.692 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.3 m-20 -64.75 -45.74 85.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.52 -31.73 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.992 ' HG ' ' CB ' ' B' ' 40' ' ' CYS . 4.9 t -68.38 -57.19 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.887 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -61.1 -29.95 70.06 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.021 -0.425 . . . . 0.0 112.114 174.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 70.5 mt -72.54 -22.23 61.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 110.495 174.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -71.02 -44.77 65.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.208 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.658 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 2.6 pt -69.64 -26.2 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.347 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.21 -40.88 95.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.015 0.436 . . . . 0.0 110.216 172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 5.7 tp10 -69.62 -37.69 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.681 0.753 . . . . 0.0 108.991 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -62.6 -49.95 73.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.549 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 55.7 mt -68.3 -59.39 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.06 -12.82 21.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.379 -173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.7 t-20 -74.02 -54.2 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.272 -0.268 . . . . 0.0 110.511 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -95.42 -15.4 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -137.34 71.79 1.41 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.742 0.306 . . . . 0.0 111.321 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -76.57 -42.27 43.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.252 0.548 . . . . 0.0 109.607 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -91.31 116.27 28.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.609 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -98.78 63.88 1.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.562 0.696 . . . . 0.0 110.317 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.251 1.154 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.131 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.36 91.01 45.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -74.43 -6.27 18.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.831 2.354 . . . . 0.0 112.325 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 70.07 -48.41 0.63 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.889 0.876 . . . . 0.0 111.793 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 1.018 ' HA ' ' HG3' ' A' ' 19' ' ' GLN . 74.1 mmtt -85.56 -64.52 1.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -172.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.0 tp 55.89 65.37 1.47 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.488 0.492 . . . . 0.0 110.79 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.4 mt 65.94 16.87 10.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.723 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 1.0 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 39.4 m-80 55.91 59.58 3.7 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.232 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.21 108.8 0.37 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.598 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 22' ' ' HIS . 22.1 mm -106.62 156.95 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -98.71 127.96 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 110.268 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.85 ' HB3' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -134.12 128.55 34.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.836 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.31 120.38 6.73 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.753 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.85 HG22 ' HA ' ' A' ' 37' ' ' SER . 46.4 t -103.4 155.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.435 ' HE1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -133.2 113.17 12.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.559 0.219 . . . . 0.0 110.563 -174.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' B' ' 18' ' ' PRO . 7.3 pt -141.94 145.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.519 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' B' ' 21' ' ' TRP . 4.6 Cg_exo -77.0 -175.14 2.49 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.807 3.005 . . . . 0.0 115.107 -169.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.646 ' HG2' ' N ' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -51.13 -55.72 16.36 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.466 -178.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.646 ' N ' ' HG2' ' B' ' 19' ' ' GLN . 6.2 mm-40 -48.27 -36.1 13.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.224 0.61 . . . . 0.0 111.897 -176.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.498 ' CD1' ' HD2' ' B' ' 18' ' ' PRO . 16.4 m95 -74.98 -54.87 6.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.421 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' B' ' 26' ' ' MET . 15.3 m-70 -58.67 -39.95 82.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.132 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.84 -55.2 38.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.69 0.281 . . . . 0.0 111.178 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.597 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 10.1 mpt_? -73.45 -37.18 65.92 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.453 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 68.8 mt -64.51 -45.39 87.44 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.736 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 57.8 mtm -63.13 -33.9 76.45 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.92 -48.44 80.41 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.025 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.35 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 0.0 109.672 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.94 -25.74 68.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.86 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.736 ' HG3' ' O ' ' B' ' 26' ' ' MET . 81.7 mttt -79.29 -45.73 19.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.4 -36.87 83.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.086 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.14 -4.16 46.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.35 39.66 18.47 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.152 0.501 . . . . 0.0 111.97 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.612 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -120.1 167.12 12.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.114 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 79.7 p -106.95 150.28 26.62 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 166.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.674 ' CD1' HD13 ' A' ' 13' ' ' LEU . 3.5 pp -63.95 -23.25 67.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 -175.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.757 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.5 m -59.26 -47.36 85.64 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 109.84 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -63.9 -46.75 83.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.694 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.35 -34.06 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.733 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.992 ' CB ' ' HG ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER -64.13 -61.72 2.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.409 -179.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.741 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -60.74 -33.51 73.03 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 176.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 64.4 mt -67.27 -33.26 74.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.046 0.451 . . . . 0.0 110.111 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.45 ' C ' ' HB1' ' A' ' 43' ' ' ALA . . . -74.79 -21.16 59.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.091 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.926 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 49.3 mt -68.72 -39.93 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -56.72 -46.7 81.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.021 174.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' B' ' 49' ' ' ASP . 0.4 OUTLIER -70.88 -30.5 66.88 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 178.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -61.55 -44.39 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.282 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.7 mt -68.87 -44.12 73.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.853 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' B' ' 46' ' ' GLU . 38.2 t70 -61.3 -29.77 70.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.382 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -35.88 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.821 0.344 . . . . 0.0 110.892 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -93.49 -49.12 6.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.38 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -138.62 101.08 4.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.96 -20.67 28.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.338 0.589 . . . . 0.0 109.809 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -92.63 125.38 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.969 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -117.78 129.3 55.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.6 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.191 -177.297 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -129.82 80.9 70.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.685 0.243 . . . . 0.0 111.153 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.523 ' HB2' ' HD1' ' A' ' 5' ' ' TYR . 10.4 Cg_exo -71.99 -53.81 0.16 Allowed 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 122.616 2.211 . . . . 0.0 111.466 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.523 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 13.4 p90 -151.46 -37.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 31.6 mmmt -135.25 -176.29 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.861 173.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.0 mt -89.6 67.23 7.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.904 0.383 . . . . 0.0 111.274 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.7 mt 55.1 26.57 8.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.643 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.63 ' CG ' ' HG2' ' B' ' 19' ' ' GLN . 11.9 t-20 58.3 29.12 17.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.157 0.503 . . . . 0.0 111.113 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.9 145.31 10.66 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.79 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.872 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 26.9 mm -131.49 146.63 33.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.12 139.01 37.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 -172.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.9 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.4 OUTLIER -127.86 154.25 45.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.294 0.568 . . . . 0.0 112.095 -172.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 118.79 6.01 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.134 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.554 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 16.4 t -112.24 161.73 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 17' ' ' ILE . 30.2 m-85 -135.94 144.98 45.74 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 21' ' ' TRP . 1.8 pt -155.94 149.79 19.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.388 170.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 89.1 Cg_exo -49.51 165.98 0.23 Allowed 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 124.021 3.147 . . . . 0.0 114.951 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -56.92 -42.82 80.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.752 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 37.0 mt-10 -57.06 -26.35 60.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.267 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 17' ' ' ILE . 20.2 m95 -79.95 -45.03 19.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.202 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 14.2 m-70 -65.61 -43.22 90.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.4 -49.19 78.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.115 0.483 . . . . 0.0 111.302 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 6.6 mpt_? -74.52 -41.61 60.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 -176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 17.1 mt -65.7 -33.11 75.12 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.184 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.604 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 2.8 mmt -62.68 -45.72 91.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.664 0.269 . . . . 0.0 110.78 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.71 -45.19 75.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.604 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 89.8 mt -63.3 -39.42 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.947 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.44 -25.99 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -74.85 -39.61 61.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.525 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.67 -39.88 95.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.227 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' ILE . 3.6 mptp? -95.06 -5.47 44.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.73 51.13 4.02 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.893 0.854 . . . . 0.0 110.193 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.4 mt -135.46 168.47 19.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.761 -1.108 . . . . 0.0 109.185 -177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.6 p -104.1 161.97 13.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD12 HD13 ' B' ' 13' ' ' LEU . 2.1 pt? -58.7 -36.39 74.15 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.548 179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.949 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.7 m -57.75 -43.97 85.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 174.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 53.7 m-20 -64.73 -48.59 74.05 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.33 -35.23 64.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.667 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 1.1 t -69.84 -52.31 26.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.4 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.686 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 0.2 OUTLIER -59.13 -39.03 81.07 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.992 -0.442 . . . . 0.0 111.497 174.122 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.0 mt -66.67 -29.52 69.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.51 0.671 . . . . 0.0 109.699 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -27.34 63.76 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.424 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.716 HG21 HD11 ' B' ' 25' ' ' LEU . 36.4 mt -68.55 -39.79 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -59.55 -39.71 84.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.133 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.86 -37.58 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.728 0.775 . . . . 0.0 109.254 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.71 -45.29 93.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.447 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 HD21 ' B' ' 25' ' ' LEU . 88.8 mt -65.26 -50.64 64.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.639 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.553 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -59.78 -32.83 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -176.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.53 -21.05 32.84 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -95.18 -26.27 16.05 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.375 -0.203 . . . . 0.0 111.489 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.37 139.33 30.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -85.68 -17.13 36.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.051 -174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.93 38.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.0 110.613 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HG3' ' HA ' ' A' ' 49' ' ' ASP . 40.2 mmtm -127.24 -81.89 0.61 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.692 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 mttp . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.477 -179.747 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -127.3 88.94 52.84 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 122.95 -0.147 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.22 -61.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.459 2.106 . . . . 0.0 111.476 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -152.16 -65.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -100.13 179.55 4.45 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 169.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.53 87.24 5.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.726 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.6 mt 62.56 8.04 2.72 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.52 174.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 94.5 m-20 57.21 30.68 18.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.061 -172.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.46 119.52 0.89 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.611 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 11.9 mm -109.63 157.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -166.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -99.33 131.16 45.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.206 0.527 . . . . 0.0 110.247 -169.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.568 HD13 HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -130.32 138.36 50.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.062 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.58 112.07 4.09 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.936 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 37' ' ' SER . 47.9 t -104.24 142.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.96 124.16 50.96 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.701 HD12 ' HE3' ' B' ' 21' ' ' TRP . 15.1 pt -140.22 151.43 64.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.889 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.9 Cg_exo -61.96 159.73 32.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.729 2.953 . . . . 0.0 112.919 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.63 ' HG2' ' CG ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.14 -20.09 60.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -179.45 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.05 -33.57 69.15 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 109.508 172.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.701 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -80.29 -41.65 24.55 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.798 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.872 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.6 m-70 -57.09 -42.71 81.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.623 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.58 -62.87 1.55 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.508 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -72.49 -50.18 27.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' ILE . 91.1 mt -66.72 -43.21 84.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.647 -174.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 88.5 mtp -68.53 -23.91 64.58 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.436 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.44 -40.89 93.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 170.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' OE2' ' B' ' 31' ' ' GLU . 70.8 mt -65.55 -38.85 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.456 0.646 . . . . 0.0 109.831 176.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.9 -25.8 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.579 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -78.31 -34.8 48.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.121 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 28' ' ' ILE . 40.7 mt-10 -64.96 -48.0 75.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.399 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 3.3 mptp? -94.92 -3.42 48.68 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 65.6 57.93 0.84 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 122.143 0.973 . . . . 0.0 110.028 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 95.4 mt -133.77 168.56 18.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.416 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -103.43 160.86 14.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -60.02 -31.63 70.13 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.031 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 15' ' ' VAL . 13.7 m -56.89 -40.86 77.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.284 174.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 34.7 m-20 -64.14 -40.19 95.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.266 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.2 -39.61 84.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.033 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.492 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 1.7 t -67.21 -58.35 5.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.742 0.306 . . . . 0.0 110.483 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -31.03 67.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 68.4 mt -72.07 -24.37 61.5 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.415 -0.803 . . . . 0.0 110.267 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.72 63.45 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.437 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 1.8 pt -70.37 -32.97 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.16 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -59.54 -41.32 89.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.188 0.518 . . . . 0.0 109.695 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.69 -38.68 77.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -62.61 -41.83 99.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.291 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.5 mt -63.98 -54.06 40.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.444 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -41.09 78.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.81 -26.49 44.3 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 111.662 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -95.35 -4.6 45.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 0.0 111.074 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' HG2' ' B' ' 55' ' ' LYS . 16.3 t70 -97.74 113.44 25.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.689 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -85.07 5.19 30.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.452 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.478 ' HB2' ' OD1' ' B' ' 52' ' ' ASP . 2.4 mp0 -86.51 -27.15 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.526 ' HG2' ' OD1' ' B' ' 52' ' ' ASP . 42.6 mmtm -80.0 -55.91 4.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.755 175.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.81 -176.31 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 12.8 mmm180 59.7 68.49 1.49 Allowed Pre-proline 0 N--CA 1.464 0.254 0 C-N-CA 122.705 0.402 . . . . 0.0 111.719 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.85 -63.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.213 1.942 . . . . 0.0 111.373 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -155.8 -56.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.137 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.608 ' HD3' ' HG2' ' B' ' 19' ' ' GLN . 25.2 ttmm -95.43 79.89 3.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 3' ' ' ARG . 8.5 mp 60.21 -90.6 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.457 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -138.9 12.68 2.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.182 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m120 65.66 9.48 5.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.907 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.55 34.47 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.991 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD11 ' OE1' ' B' ' 19' ' ' GLN . 4.3 mp -127.43 153.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -100.16 126.61 46.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.239 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.818 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -125.67 166.6 16.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.682 -175.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.15 147.22 19.11 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.737 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' B' ' 37' ' ' SER . 11.6 t -133.15 164.45 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -175.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.9 m-85 -131.36 135.16 46.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.27 0.228 . . . . 0.0 110.668 174.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD21 ' B' ' 13' ' ' LEU . 4.5 pt -151.44 151.01 28.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.031 175.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 24.3 Cg_endo -64.42 172.82 6.03 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 123.237 2.625 . . . . 0.0 114.186 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.82 -36.38 76.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.215 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.8 mm-40 -55.19 -33.28 62.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 111.394 -178.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.502 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.8 m95 -78.72 -50.76 10.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 38.9 m-70 -59.74 -36.64 77.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.229 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -63.49 -59.02 5.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.406 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.1 mpt_? -75.58 -42.97 50.69 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.658 -173.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.96 -50.97 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.002 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.724 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 88.7 mmm -66.94 -24.94 66.13 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.973 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -64.1 -46.73 82.94 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.535 0.683 . . . . 0.0 109.441 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -62.73 -37.3 78.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.79 -22.73 67.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.669 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 26' ' ' MET . 89.8 mttt -76.38 -45.53 31.41 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.23 -43.2 96.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.988 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -3.86 44.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -174.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 m120 63.34 57.99 1.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.297 0.57 . . . . 0.0 111.292 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.659 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.4 mt -133.28 166.52 22.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.266 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 p -108.09 157.79 17.97 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 170.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -60.71 -23.92 65.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.234 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.021 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.8 m -59.93 -48.73 80.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.164 170.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.3 m-20 -64.43 -46.09 84.72 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.046 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.74 -31.79 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 3.0 t -69.46 -49.5 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.909 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' HB2' ' CH2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -65.7 -31.61 72.71 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.276 -0.265 . . . . 0.0 111.301 173.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 94.2 mt -68.88 -25.52 64.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 109.666 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.83 -49.77 42.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.645 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.759 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 1.3 pt -68.29 -22.05 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.559 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 42' ' ' LEU . 85.6 tttt -58.0 -55.83 29.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.37 173.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.82 -24.25 58.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.25 0.548 . . . . 0.0 109.543 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.759 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . 80.1 t80 -61.33 -43.0 99.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.207 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.7 mt -66.71 -54.04 27.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.623 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.09 -21.0 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.664 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -77.0 -59.99 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.404 -0.185 . . . . 0.0 111.149 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -93.59 -8.45 41.15 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.056 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.35 76.43 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.63 0.728 . . . . 0.0 109.37 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -79.56 -35.85 39.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.525 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -88.32 119.92 29.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.894 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 20.0 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.574 0.702 . . . . 0.0 109.706 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.645 -179.571 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.509 ' NH1' ' H ' ' B' ' 7' ' ' LEU . 9.2 mmm180 51.42 75.88 0.6 Allowed Pre-proline 0 N--CA 1.465 0.314 0 C-N-CA 122.563 0.345 . . . . 0.0 111.901 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.17 -59.77 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.391 2.061 . . . . 0.0 111.391 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -153.96 -27.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -144.99 111.16 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.407 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.509 ' H ' ' NH1' ' B' ' 3' ' ' ARG . 10.2 mp 57.02 -139.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.515 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.495 ' H ' ' HB3' ' B' ' 7' ' ' LEU . 63.7 mt -92.08 8.51 37.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.44 30.22 19.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.68 0.752 . . . . 0.0 110.324 -172.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -160.75 138.51 5.53 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.653 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 3.7 mp -119.0 148.04 22.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -172.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -99.61 123.6 44.03 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 110.596 -170.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.693 HD21 HG12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -123.21 165.27 17.18 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.448 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.488 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -142.74 120.48 1.57 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.121 -1.037 . . . . 0.0 112.472 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 1.021 HG22 ' HA ' ' A' ' 37' ' ' SER . 39.3 t -105.12 155.96 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.39 122.8 26.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 13' ' ' LEU . 37.3 pt -142.11 152.12 60.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.721 0.296 . . . . 0.0 111.193 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.796 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 28.7 Cg_endo -62.96 163.46 22.29 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 123.848 3.032 . . . . 0.0 114.474 -174.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.654 ' OE1' HD11 ' A' ' 11' ' ' ILE . 40.9 tp60 -62.94 -42.84 99.94 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.283 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 6.6 mm-40 -50.86 -40.92 57.41 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.917 0.865 . . . . 0.0 110.766 177.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.796 ' HE3' ' HD2' ' B' ' 18' ' ' PRO . 3.7 t90 -80.19 -30.55 38.77 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.257 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 2.6 m-70 -66.59 -49.52 66.08 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.374 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.33 -48.54 68.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.739 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 9.9 mpt_? -74.01 -47.29 38.08 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.394 -176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.655 HD12 HG11 ' B' ' 39' ' ' VAL . 4.5 mm? -66.99 -40.18 87.33 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.478 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.569 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 94.8 mmm -65.41 -28.98 69.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.2 -45.8 91.74 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.684 0.754 . . . . 0.0 109.071 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.76 -37.14 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.906 176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.44 -24.78 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.541 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' B' ' 26' ' ' MET . 89.1 mttt -76.83 -56.93 4.16 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.467 ' C ' ' HE2' ' B' ' 32' ' ' LYS . 6.2 mm-40 -61.62 -31.67 71.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.793 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.467 ' HE2' ' C ' ' B' ' 31' ' ' GLU . 1.0 OUTLIER -95.39 -4.73 44.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.36 37.97 19.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.107 0.479 . . . . 0.0 111.433 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.401 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -111.03 166.47 11.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.08 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 39' ' ' VAL . 40.0 p -104.89 158.09 16.77 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.818 HD12 HD13 ' A' ' 13' ' ' LEU . 2.2 pt? -56.58 -37.89 71.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.991 0.424 . . . . 0.0 110.054 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.51 ' HA ' HG22 ' A' ' 15' ' ' VAL . 7.3 m -55.2 -47.52 75.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.85 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.434 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 40.5 m-20 -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.339 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG11 HD12 ' B' ' 25' ' ' LEU . 61.8 t -61.68 -43.23 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.358 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.581 ' HA ' HG23 ' A' ' 44' ' ' ILE . 14.1 m -66.54 -54.57 22.24 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.091 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 6.4 ppt_? -62.13 -34.4 76.27 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.36 -31.9 72.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.509 0.671 . . . . 0.0 109.634 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.19 -20.96 60.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.707 176.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 59.4 mt -66.05 -45.3 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 87.6 tttt -59.67 -36.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.329 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -68.42 -41.15 80.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.391 0.615 . . . . 0.0 109.656 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -63.81 -42.59 97.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.998 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.8 mt -66.91 -44.47 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.471 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' B' ' 45' ' ' LYS . 9.9 t70 -55.97 -43.31 77.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.962 -173.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -76.96 -28.73 55.28 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' B' ' 48' ' ' LEU . 4.2 p80 -94.37 -24.83 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.829 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -141.99 102.02 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.153 0.501 . . . . 0.0 110.49 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -108.55 0.2 20.69 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.772 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -91.24 57.61 3.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.163 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -30.2 33.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp . . . . . 0 C--O 1.243 0.721 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 170.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 55.5 80.55 0.29 Allowed Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.997 0.519 . . . . 0.0 111.258 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.42 141.44 86.94 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.8 2.333 . . . . 0.0 112.177 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -84.33 137.53 33.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 54.65 74.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.038 0.923 . . . . 0.0 111.28 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -155.27 -56.96 0.1 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.332 -1.303 . . . . 0.0 108.87 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 tp -89.61 -8.59 52.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.525 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 48.58 52.6 13.53 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.243 -175.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.59 116.75 0.73 Allowed Glycine 0 N--CA 1.438 -1.222 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.881 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -106.12 153.45 7.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.77 ' HD3' ' CE1' ' B' ' 16' ' ' TYR . 26.9 tptp -98.63 123.61 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -171.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -131.22 165.46 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.027 178.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.91 119.48 2.05 Favored Glycine 0 N--CA 1.436 -1.359 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' B' ' 37' ' ' SER . 46.3 t -103.16 155.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.062 ' CD1' ' HD3' ' B' ' 12' ' ' LYS . 4.2 t80 -128.89 120.21 25.78 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.794 HG12 HD21 ' B' ' 13' ' ' LEU . 24.6 pt -138.63 153.48 72.38 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.628 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.892 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 32.3 Cg_exo -59.71 167.97 6.1 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.553 2.835 . . . . 0.0 114.466 -174.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 1.056 ' NE2' HD11 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -68.92 -40.74 78.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.545 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.546 ' OE1' ' HB3' ' B' ' 9' ' ' ASN . 1.5 mp0 -53.06 -37.23 61.45 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.806 0.812 . . . . 0.0 109.823 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.807 ' CZ3' ' HG2' ' B' ' 41' ' ' ARG . 10.1 m0 -73.22 -58.48 3.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.187 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.857 ' CB ' HD13 ' B' ' 11' ' ' ILE . 10.7 t-80 -51.9 -43.12 63.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.065 -175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.83 -55.46 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.005 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.67 -31.72 65.28 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 111.078 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 21' ' ' TRP . 4.0 mm? -66.77 -41.75 87.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 22' ' ' HIS . 92.9 mmm -64.53 -30.19 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.18 -46.14 82.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.219 0.533 . . . . 0.0 109.854 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.69 -35.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.006 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.76 79.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.394 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' MET . 45.2 mttp -79.42 -43.27 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.061 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.74 -42.64 97.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.518 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -94.5 -3.81 49.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 62.65 51.63 3.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.761 0.791 . . . . 0.0 110.4 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.16 168.93 18.24 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.568 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.57 151.16 22.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.941 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -58.05 -28.13 64.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.668 0.27 . . . . 0.0 110.905 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.837 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.1 p -59.39 -47.42 85.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.084 0.468 . . . . 0.0 110.64 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.595 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 45.7 m-20 -63.75 -41.74 97.96 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.647 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.8 -37.49 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 3.5 t -67.75 -48.49 66.25 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 109.968 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.839 ' HG2' ' CZ3' ' B' ' 21' ' ' TRP . 2.3 tmt_? -49.56 -50.62 41.49 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.581 0.752 . . . . 0.0 111.13 169.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.9 mt -67.31 -24.63 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.973 0.416 . . . . 0.0 110.732 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -69.3 -36.64 77.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.515 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.017 ' HB ' ' HZ2' ' B' ' 21' ' ' TRP . 19.7 mt -69.91 -34.9 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -46.69 84.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.335 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.59 -25.99 59.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.398 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.658 HD21 HD21 ' B' ' 25' ' ' LEU . 80.8 mt -68.83 -46.56 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.204 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 36.4 t70 -61.42 -29.8 70.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.045 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.642 HD22 ' CD ' ' B' ' 46' ' ' GLU . 53.1 t30 -78.42 -30.4 47.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.109 0.481 . . . . 0.0 110.712 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -93.86 -62.45 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.104 0.478 . . . . 0.0 110.768 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -98.15 65.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.437 0.637 . . . . 0.0 109.747 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 23.6 ttmm -84.54 -31.3 24.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.812 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -89.56 125.36 35.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.303 0.573 . . . . 0.0 110.808 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -109.5 7.61 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.653 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt . . . . . 0 C--O 1.25 1.099 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.104 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 58.62 80.79 0.27 Allowed Pre-proline 0 N--CA 1.464 0.265 0 C-N-CA 122.898 0.479 . . . . 0.0 110.955 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.597 ' HG2' HD22 ' B' ' 7' ' ' LEU . 16.5 Cg_exo -68.45 153.15 74.55 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.011 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -83.42 137.29 33.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.961 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 58.7 30.92 20.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.825 0.821 . . . . 0.0 111.402 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.597 HD22 ' HG2' ' B' ' 4' ' ' PRO . 57.9 tp -92.37 -60.11 1.92 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp -90.2 5.04 48.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.214 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.7 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.8 m-20 48.38 52.48 13.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.952 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.892 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -163.79 141.64 7.26 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 1.056 HD11 ' NE2' ' A' ' 19' ' ' GLN . 4.4 mp -129.05 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 1.062 ' HD3' ' CD1' ' A' ' 16' ' ' TYR . 17.2 tptp -100.92 134.7 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.941 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.36 140.06 47.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -176.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 37' ' ' SER . . . -102.95 116.1 5.37 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.058 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 37' ' ' SER . 23.2 t -107.78 162.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.77 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 3.2 m-85 -131.87 130.02 41.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.777 0.322 . . . . 0.0 110.754 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.529 HG12 HD22 ' A' ' 13' ' ' LEU . 39.5 pt -139.74 140.44 24.78 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.15 -176.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.892 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 43.8 Cg_exo -59.53 161.07 18.4 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 123.869 3.046 . . . . 0.0 113.413 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' B' ' 22' ' ' HIS . 0.0 OUTLIER -80.43 -33.24 37.04 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.94 -172.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 1.3 mp0 -59.21 -35.24 73.26 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 122.618 1.199 . . . . 0.0 109.35 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 1.017 ' HZ2' ' HB ' ' A' ' 44' ' ' ILE . 10.8 t90 -79.26 -25.57 42.53 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.516 -1.674 . . . . 0.0 108.397 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' B' ' 26' ' ' MET . 3.3 m-70 -65.06 -44.46 88.9 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.312 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' B' ' 20' ' ' GLU . 16.7 m-20 -50.82 -57.8 7.52 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.068 0.461 . . . . 0.0 110.285 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' B' ' 24' ' ' ARG . 7.2 mpt_? -73.62 -52.3 13.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.687 -173.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.74 HD12 HG11 ' B' ' 39' ' ' VAL . 3.5 mm? -67.92 -44.18 77.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.705 ' SD ' ' HB3' ' B' ' 36' ' ' LEU . 80.6 mmm -67.67 -25.59 65.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.887 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -65.7 -40.41 92.26 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.567 171.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.11 -37.85 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.645 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.92 -27.77 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.501 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 26' ' ' MET . 61.2 mttp -78.43 -44.19 25.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.166 0.508 . . . . 0.0 110.126 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.36 -39.75 95.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.24 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -95.93 -3.17 45.72 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 64.6 49.11 2.42 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.361 0.6 . . . . 0.0 111.272 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.458 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 77.9 mt -124.53 166.1 16.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.221 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.464 ' O ' HG23 ' B' ' 39' ' ' VAL . 81.9 p -110.59 162.85 14.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 172.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.4 pt? -55.77 -38.15 69.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.916 0.388 . . . . 0.0 110.493 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.857 ' HA ' HG22 ' A' ' 15' ' ' VAL . 4.8 m -56.94 -47.32 80.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.472 174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 68.8 m-20 -64.67 -43.59 93.08 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.609 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.74 HG11 HD12 ' B' ' 25' ' ' LEU . 69.7 t -63.61 -38.94 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.552 -176.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.05 -53.61 47.1 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.807 ' HG2' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -49.09 -50.23 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.281 171.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.0 mt -64.61 -27.93 69.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.315 0.578 . . . . 0.0 110.578 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.543 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -71.31 -32.99 69.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.104 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 28.2 mt -66.52 -38.55 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -56.52 -48.03 78.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.536 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.642 ' CD ' HD22 ' A' ' 50' ' ' ASN . 32.7 tt0 -72.98 -33.75 66.03 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -58.91 -43.32 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.048 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 76.0 mt -64.78 -41.42 95.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.982 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 13.4 t70 -62.0 -37.14 83.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.226 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -73.32 -31.71 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.131 -0.356 . . . . 0.0 111.263 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -90.33 -33.91 15.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.974 0.416 . . . . 0.0 110.803 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.12 82.84 1.88 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.412 0.625 . . . . 0.0 109.65 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 49' ' ' ASP . 25.2 ttmm -86.02 -39.17 17.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.771 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -92.3 138.39 31.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.632 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -110.91 48.44 0.92 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt . . . . . 0 C--O 1.247 0.928 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.875 -175.282 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 24.9 ptt180 -123.69 109.33 30.45 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 0.0 111.139 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 5.7 Cg_endo -87.11 108.96 0.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.358 2.705 . . . . 0.0 112.239 176.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 60.87 -79.84 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 173.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -86.22 -73.82 0.44 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 0.0 109.61 -172.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' HG ' ' N ' ' A' ' 8' ' ' LEU . 2.2 pt? -153.4 -55.66 0.12 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 82.8 mt -150.77 114.34 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.589 174.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -83.95 42.58 0.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.335 0.588 . . . . 0.0 110.13 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.16 103.33 0.21 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.1 mm -116.14 153.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -100.18 134.91 42.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 -170.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.818 ' HG ' ' HB ' ' B' ' 15' ' ' VAL . 0.8 OUTLIER -135.84 167.03 21.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.644 -179.381 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.83 126.09 2.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.29 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.065 HG22 ' HA ' ' B' ' 37' ' ' SER . 66.9 t -111.08 141.82 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.53 122.51 45.73 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.666 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 36' ' ' LEU . 25.9 pt -141.62 156.75 66.3 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.633 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' TRP . 31.8 Cg_exo -60.44 169.3 5.42 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.218 2.612 . . . . 0.0 113.09 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' OE1' ' A' ' 20' ' ' GLU . 6.7 pt20 -76.43 -34.28 58.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.624 -177.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' HG2' ' A' ' 19' ' ' GLN . 1.7 mp0 -54.42 -32.74 58.04 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.825 173.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.921 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 4.0 m95 -77.19 -57.9 3.58 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.261 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.517 ' HA ' HD13 ' A' ' 36' ' ' LEU . 46.9 t-80 -50.19 -47.48 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.121 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 34.4 t70 -65.79 -52.6 49.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.467 -177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.3 mpt_? -72.3 -34.69 68.33 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.697 0.284 . . . . 0.0 110.638 -174.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.05 -42.41 94.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 4.9 mmt -62.81 -41.27 99.23 Favored 'General case' 0 C--O 1.22 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 111.661 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 27.3 mm-40 -57.63 -52.86 63.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.007 0.432 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 67.5 mt -63.64 -43.7 98.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.209 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.52 -36.33 80.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.506 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' MET . 28.2 mtpp -76.64 -24.72 53.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 70.0 mt-10 -60.63 -46.0 91.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.055 0.455 . . . . 0.0 110.023 171.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' ILE . 1.3 mptp? -93.1 -2.38 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.232 -174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.1 t30 65.39 54.36 1.17 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.184 0.993 . . . . 0.0 110.615 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.6 mt -133.91 168.5 18.66 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.567 177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -105.09 157.46 17.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.734 ' HG ' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -60.87 -27.4 68.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 109.957 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' B' ' 15' ' ' VAL . 29.2 t -55.56 -47.74 75.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.055 171.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.615 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 63.3 m-20 -63.79 -49.3 73.47 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.067 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -33.37 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.861 -177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.977 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 5.2 t -70.03 -55.68 8.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.638 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.91 -32.47 70.78 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 173.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -71.33 -23.89 62.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.591 -0.693 . . . . 0.0 109.796 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -69.99 -40.44 75.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.999 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 41' ' ' ARG . 15.5 pt -69.32 -31.17 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' ' HH2' ' B' ' 21' ' ' TRP . 66.7 tttm -59.89 -48.41 81.8 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.11 -28.53 62.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.277 0.561 . . . . 0.0 109.499 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -63.45 -46.2 87.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.707 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 76.9 mt -66.4 -39.58 89.1 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.035 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.66 -43.3 93.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.323 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -82.9 -40.55 20.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.611 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -90.03 -56.41 3.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 111.45 -176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -93.56 64.21 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -55.98 -73.97 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.314 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 54' ' ' GLN . 1.8 pt20 -89.28 120.39 30.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 110.841 -178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -94.68 73.46 3.66 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.254 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.17 -173.702 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.049 -0.42 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' B' ' 7' ' ' LEU . 37.8 ptt180 -149.64 114.88 3.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.508 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.26 135.17 20.2 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 112.588 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 62.92 -85.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.094 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 19' ' ' GLN . 62.5 mttm -107.21 -64.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.528 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.89 ' HG ' ' H ' ' B' ' 8' ' ' LEU . 1.3 pt? -149.73 -71.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.89 ' H ' ' HG ' ' B' ' 7' ' ' LEU . 96.5 mt -139.38 86.83 2.15 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.452 ' CG ' HE21 ' A' ' 19' ' ' GLN . 2.5 m-20 -83.14 51.19 1.9 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.376 0.608 . . . . 0.0 110.369 -177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.24 107.43 0.3 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.65 139.09 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.673 0.273 . . . . 0.0 110.578 -169.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -102.27 127.45 49.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 -176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.734 HD13 ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -128.58 145.86 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.31 179.375 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.9 124.37 8.19 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.104 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.818 ' HB ' ' HG ' ' A' ' 13' ' ' LEU . 17.5 t -109.41 155.9 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -135.44 124.41 24.2 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.666 HD12 ' HE3' ' B' ' 21' ' ' TRP . 22.3 pt -147.06 159.14 43.61 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 15.8 Cg_endo -56.86 158.71 16.18 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.437 2.758 . . . . 0.0 113.622 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.7 -35.97 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.182 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -57.07 -30.66 64.49 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.878 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.666 ' HE3' HD12 ' B' ' 17' ' ' ILE . 1.7 m0 -77.77 -47.23 19.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.319 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -56.43 -37.97 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.04 -57.93 10.66 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.652 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' B' ' 24' ' ' ARG . 3.0 mpt_? -76.07 -30.2 58.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 60.9 mt -63.24 -45.95 89.21 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.478 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 24.6 mmt -63.86 -37.97 89.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.14 -44.8 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.53 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' B' ' 32' ' ' LYS . 80.3 mt -64.77 -33.47 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.516 0.674 . . . . 0.0 110.108 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -63.12 -34.44 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' B' ' 26' ' ' MET . 24.9 mtpp -79.99 -39.37 30.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.419 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.85 -53.68 46.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.946 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' B' ' 28' ' ' ILE . 49.3 mttp -95.56 -0.9 51.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.148 -165.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 52.8 t30 69.07 55.02 0.43 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.063 0.935 . . . . 0.0 110.208 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.3 mt -135.59 166.35 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.743 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.502 ' O ' HG23 ' B' ' 39' ' ' VAL . 45.0 p -118.13 160.69 21.11 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 168.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.23 -30.83 68.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.159 0.504 . . . . 0.0 110.051 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 1.065 ' HA ' HG22 ' A' ' 15' ' ' VAL . 8.2 t -60.98 -50.48 73.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.026 173.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' B' ' 35' ' ' THR . 19.0 m-20 -61.6 -42.01 98.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.792 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 35' ' ' THR . 77.5 t -62.35 -38.6 81.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.734 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.977 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 88.0 m -63.31 -63.64 1.13 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.629 0.252 . . . . 0.0 111.173 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.921 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -54.85 -42.4 71.93 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.316 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.494 ' N ' ' HD3' ' B' ' 41' ' ' ARG . 42.1 mt -65.13 -35.33 80.78 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.721 -0.612 . . . . 0.0 110.322 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 47' ' ' TYR . . . -72.25 -21.94 61.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.993 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 20.1 mt -69.88 -39.68 77.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -39.54 84.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.316 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.24 -35.97 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 109.452 176.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' B' ' 43' ' ' ALA . 22.4 t80 -62.03 -44.88 95.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.735 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.5 mt -66.9 -43.01 84.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.541 177.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.63 -45.01 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -81.75 -12.99 58.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -95.21 -64.34 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.698 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -142.51 120.08 11.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.692 0.758 . . . . 0.0 109.56 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -78.87 -16.28 57.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.364 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -150.2 138.23 20.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.573 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -111.69 102.53 10.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.871 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp . . . . . 0 C--O 1.25 1.086 0 O-C-N 124.008 0.818 . . . . 0.0 110.928 -177.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -136.64 107.57 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.486 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.46 -41.27 12.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.981 2.454 . . . . 0.0 112.291 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -147.75 -71.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -140.46 21.35 2.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.715 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.833 ' HG ' ' HG ' ' A' ' 8' ' ' LEU . 42.3 tp 72.41 134.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 114.352 -1.294 . . . . 0.0 111.148 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.833 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 87.1 mt 65.09 82.56 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.131 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -81.75 -17.13 48.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.038 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.44 140.21 6.49 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.634 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.664 HD11 ' HB3' ' A' ' 8' ' ' LEU . 22.6 mm -121.23 159.45 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -176.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.99 129.7 45.3 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.174 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -131.65 128.22 38.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.417 -178.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' OG ' ' B' ' 37' ' ' SER . . . -104.4 121.89 7.15 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.902 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.13 HG22 ' HA ' ' B' ' 37' ' ' SER . 56.9 t -108.2 145.87 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.75 118.04 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.526 0.203 . . . . 0.0 110.781 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.775 HD12 ' HE3' ' A' ' 21' ' ' TRP . 16.7 pt -140.06 161.59 54.87 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.664 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 39.1 Cg_endo -65.92 153.64 77.29 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.946 2.431 . . . . 0.0 112.933 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -65.76 -27.74 68.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.028 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -53.88 -40.28 66.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.617 174.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.775 ' HE3' HD12 ' A' ' 17' ' ' ILE . 9.9 m0 -73.77 -40.6 63.34 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.445 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.861 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.1 m-70 -56.17 -45.0 79.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.242 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.53 -53.49 56.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.895 0.379 . . . . 0.0 111.222 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.6 mpt_? -74.98 -38.91 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.217 -173.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.9 -44.91 88.05 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.838 -0.165 . . . . 0.0 110.876 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 95.4 mmm -67.75 -25.95 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.17 -48.47 73.37 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.72 -29.79 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.006 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.64 -29.34 70.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.948 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.78 -38.43 54.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.028 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -44.9 96.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.961 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -96.01 -4.67 42.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.21 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 59.42 45.88 13.13 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.468 0.652 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.597 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 95.9 mt -133.85 169.14 17.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.786 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -103.61 159.55 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.788 174.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD1' HD13 ' B' ' 13' ' ' LEU . 2.7 pt? -58.69 -36.27 73.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.736 0.303 . . . . 0.0 110.534 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.77 ' HB3' HG22 ' B' ' 15' ' ' VAL . 13.8 m -56.29 -43.89 79.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.596 176.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.614 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 47.2 m-20 -63.88 -40.91 97.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.987 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -39.03 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.336 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 31.1 m -70.73 -53.61 14.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.806 ' HG2' ' CG1' ' B' ' 15' ' ' VAL . 7.3 ppt_? -57.17 -37.21 71.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.121 -0.362 . . . . 0.0 111.508 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.85 -31.13 71.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 110.065 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.76 62.43 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.871 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 73.0 mt -66.23 -43.7 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.29 -37.28 77.29 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.154 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' OE1' ' NE2' ' B' ' 51' ' ' HIS . 8.6 tp10 -68.66 -42.49 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.39 177.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -62.54 -48.67 78.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.636 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 48.8 mt -67.35 -58.09 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.368 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.04 -31.69 73.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.493 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -77.13 -45.25 27.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.0 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' B' ' 46' ' ' GLU . 51.7 m-70 -92.99 -4.74 52.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.484 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.9 t70 66.1 151.88 0.06 Allowed 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.945 0.778 . . . . 0.0 112.946 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -162.21 -62.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.687 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -99.22 130.85 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.459 172.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.54 84.35 6.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.821 -167.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 112.222 -0.351 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.499 ' HG3' ' H ' ' B' ' 7' ' ' LEU . 29.1 ttp180 -141.43 79.97 16.86 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 122.679 -0.306 . . . . 0.0 110.346 -177.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.03 -64.56 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.442 2.095 . . . . 0.0 111.573 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -99.84 -80.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -150.1 80.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.505 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.499 ' H ' ' HG3' ' B' ' 3' ' ' ARG . 9.1 mp 61.91 57.92 2.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.34 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.5 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 88.8 mt 69.83 143.49 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.548 174.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 32.5 p30 -90.89 -3.52 57.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.127 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.16 140.33 6.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.697 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.861 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 16.9 mm -125.72 155.89 35.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -99.74 131.97 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.136 0.493 . . . . 0.0 110.688 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -133.93 161.73 33.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.465 178.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' SER . . . -144.26 146.26 16.61 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.32 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.806 ' CG1' ' HG2' ' A' ' 41' ' ' ARG . 3.2 t -130.4 165.93 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.401 ' N ' HG12 ' B' ' 15' ' ' VAL . 16.1 m-85 -127.02 121.9 32.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 171.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.4 HD12 ' HE3' ' B' ' 21' ' ' TRP . 24.2 pt -138.17 152.26 71.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.867 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.1 157.81 19.74 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.508 2.805 . . . . 0.0 113.235 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.41 -22.6 66.23 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.036 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.672 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 24.9 mm-40 -55.19 -39.9 70.11 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.636 0.731 . . . . 0.0 109.599 173.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.46 ' CH2' ' O ' ' A' ' 41' ' ' ARG . 11.4 m0 -74.41 -50.53 18.14 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.004 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.656 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 24.3 m-70 -55.95 -50.21 71.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.503 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.14 -50.89 72.31 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.967 0.413 . . . . 0.0 111.748 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.672 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.5 mpt_? -73.13 -36.87 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.722 -174.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.17 -34.0 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.266 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 80.4 mmm -60.95 -40.95 95.23 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.549 0.214 . . . . 0.0 110.77 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.5 tt0 -64.38 -44.65 90.67 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.511 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.16 -35.06 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.516 0.674 . . . . 0.0 109.814 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.2 -32.32 72.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.879 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 26' ' ' MET . 91.8 mttt -81.36 -33.57 32.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.361 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 48.9 mt-10 -61.6 -53.66 53.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.603 178.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.55 -2.03 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.76 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 65.17 54.41 1.22 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.48 0.657 . . . . 0.0 111.018 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.3 mt -134.21 167.83 19.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.417 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.3 p -108.28 165.82 11.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.062 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.595 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 2.0 pt? -56.99 -35.71 69.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 173.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 1.13 ' HA ' HG22 ' A' ' 15' ' ' VAL . 13.6 m -58.98 -47.34 85.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 172.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.582 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.2 m-20 -62.99 -49.07 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.454 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 35' ' ' THR . 94.6 t -61.76 -36.54 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.133 -176.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -64.67 -53.53 46.05 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.718 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 2.7 ppt_? -67.63 -35.53 79.09 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 177.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 95.1 mt -69.62 -23.95 63.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.451 0.643 . . . . 0.0 109.877 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.81 -39.07 66.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.01 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.693 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 21.0 pt -70.22 -28.59 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.225 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.08 -40.75 86.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.391 0.615 . . . . 0.0 109.634 172.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 51' ' ' HIS . 18.2 tp10 -71.36 -38.56 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.715 176.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -63.71 -41.44 98.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.184 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 80.4 mt -66.99 -38.64 86.39 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.737 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -46.56 87.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.694 0.283 . . . . 0.0 111.746 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.53 -40.12 43.73 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.5 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 45.6 m-70 -89.54 -64.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 t70 64.75 141.22 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -140.43 24.63 2.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.214 167.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.29 58.43 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.126 -176.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -80.43 77.2 7.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.262 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.883 174.486 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' HD3' ' HD2' ' A' ' 4' ' ' PRO . 18.7 tpp180 -126.79 113.67 22.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' HD2' ' HD3' ' A' ' 3' ' ' ARG . 18.2 Cg_exo -66.45 115.61 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.54 2.16 . . . . 0.0 111.196 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -81.23 -2.4 48.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.074 -173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.98 29.03 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.803 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt 68.3 0.37 2.47 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.778 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.44 103.55 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.92 -18.61 23.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.46 146.47 12.92 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.898 -175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' HB ' ' NE2' ' B' ' 22' ' ' HIS . 32.9 mm -124.67 157.54 32.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -170.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.24 125.71 44.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.238 0.542 . . . . 0.0 110.895 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.58 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -132.8 166.41 22.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.898 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.27 131.36 4.83 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.019 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' B' ' 41' ' ' ARG . 14.2 t -108.75 159.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 117.68 14.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.775 HG22 ' HG3' ' B' ' 41' ' ' ARG . 23.4 pt -138.7 163.71 44.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.104 -174.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' CD ' ' HB ' ' A' ' 17' ' ' ILE . 33.4 Cg_exo -60.84 150.16 84.62 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.113 2.542 . . . . 0.0 112.959 -176.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -57.79 -32.28 67.39 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.977 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 7.8 mm-40 -55.72 -41.99 74.67 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.362 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.77 ' HE3' HD12 ' A' ' 17' ' ' ILE . 45.0 m0 -76.25 -49.75 16.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.71 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 11.8 t-80 -53.81 -39.26 65.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.792 0.683 . . . . 0.0 110.643 -177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.93 -52.4 63.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.401 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 8.6 mpt_? -74.73 -27.97 60.58 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' A' ' 36' ' ' LEU . 77.4 mt -63.97 -41.3 97.58 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.2 mmt -62.23 -39.41 92.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.206 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.99 -46.72 83.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.04 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.62 -36.65 76.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.154 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.86 -26.55 68.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.0 mttm -79.36 -48.29 14.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.253 0.549 . . . . 0.0 109.825 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -41.68 97.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.565 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -94.94 -9.04 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.15 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.39 36.43 17.4 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.268 0.556 . . . . 0.0 111.653 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.0 mt -109.26 165.93 11.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 39' ' ' VAL . 68.2 p -106.17 159.44 16.09 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 25' ' ' LEU . 19.2 mt -60.61 -32.47 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.098 0.475 . . . . 0.0 110.314 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.969 ' HA ' HG22 ' B' ' 15' ' ' VAL . 2.9 m -56.87 -46.93 81.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 174.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 62.7 m-20 -63.71 -42.77 97.9 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.328 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 35' ' ' THR . 66.7 t -61.44 -47.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.879 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.614 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 0.6 OUTLIER -67.63 -50.27 58.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.702 -176.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.934 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 2.9 tmm_? -49.01 -54.19 16.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.109 0.563 . . . . 0.0 111.825 170.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.4 mt -65.46 -21.62 66.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.048 0.452 . . . . 0.0 110.397 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.36 -35.33 71.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 14.2 mt -67.8 -34.95 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.11 -42.76 81.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.269 174.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' LEU . 9.9 mm-40 -70.02 -36.47 75.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.602 0.715 . . . . 0.0 109.602 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.39 -46.96 84.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.446 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 85.4 mt -63.96 -46.88 82.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.672 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.83 -42.57 99.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.747 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -79.41 -27.66 41.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -95.72 -4.8 43.46 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.07 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 61.85 -77.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.927 0.767 . . . . 0.0 112.445 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.0 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -146.36 140.09 26.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.095 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 21.9 pttp -99.21 31.47 3.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.231 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 55' ' ' LYS . 21.1 tttm . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.847 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.461 ' HD3' ' HD2' ' B' ' 4' ' ' PRO . 11.3 tpp180 -151.01 111.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.722 0.296 . . . . 0.0 110.648 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.934 ' HA ' ' HB3' ' B' ' 9' ' ' ASN . 51.4 Cg_endo -71.53 106.4 1.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 111.44 173.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -78.95 -59.0 2.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -95.65 29.24 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.522 ' HA ' ' HB2' ' B' ' 4' ' ' PRO . 85.0 mt 69.5 -42.78 0.51 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.377 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.02 78.0 7.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.934 ' HB3' ' HA ' ' B' ' 4' ' ' PRO . 3.4 p-10 -84.15 -5.24 59.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.679 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.53 141.12 7.4 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.71 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 4.7 mm -120.29 163.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -171.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -99.37 143.07 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.734 -173.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.49 HD23 ' N ' ' B' ' 13' ' ' LEU . 0.8 OUTLIER -141.77 119.75 12.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.926 175.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.453 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -102.35 116.96 5.66 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.41 -177.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.969 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -105.32 149.6 8.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.569 0.223 . . . . 0.0 110.636 -175.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.12 129.04 55.48 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 169.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.592 HD12 ' HE3' ' B' ' 21' ' ' TRP . 29.9 pt -137.89 147.31 56.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.756 0.313 . . . . 0.0 110.615 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 17' ' ' ILE . 27.7 Cg_exo -63.53 169.98 8.96 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 123.796 2.997 . . . . 0.0 114.238 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -66.94 -38.69 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.813 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.69 -29.55 59.57 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.474 0.654 . . . . 0.0 110.707 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.934 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 6.3 m0 -76.5 -48.88 18.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.814 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' B' ' 26' ' ' MET . 28.7 m-70 -58.38 -35.97 72.8 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.16 -63.89 1.1 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-O 121.196 0.522 . . . . 0.0 111.323 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -75.55 -39.08 58.72 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.574 -0.45 . . . . 0.0 112.187 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 72.6 mt -66.02 -39.25 90.07 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.722 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.7 mmt -64.88 -33.63 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.43 -44.09 95.55 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.837 174.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.75 -37.03 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.907 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -60.49 -40.05 89.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.209 -178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -79.52 -38.5 34.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.121 0.486 . . . . 0.0 110.214 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.88 -44.33 90.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.445 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -95.57 -1.91 49.49 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 68.59 53.32 0.55 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.416 0.627 . . . . 0.0 110.958 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.475 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.9 mt -136.62 167.44 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.033 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 30.8 p -111.51 165.39 12.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 171.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.58 HD12 HD13 ' A' ' 13' ' ' LEU . 2.7 pt? -58.38 -43.95 88.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.929 0.331 . . . . 0.0 110.471 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 15' ' ' VAL . 19.6 m -60.17 -42.62 95.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.591 ' HB2' ' H ' ' B' ' 35' ' ' THR . 4.6 m-20 -63.65 -42.21 98.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 35' ' ' THR . 86.4 t -63.98 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.654 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.614 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 2.7 t -64.81 -50.19 67.7 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.396 0.617 . . . . 0.0 109.764 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.775 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -53.88 -44.19 70.24 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.297 171.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.7 mt -67.25 -24.57 65.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.464 0.65 . . . . 0.0 110.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 43' ' ' ALA . . . -73.8 -35.16 64.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.384 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 41' ' ' ARG . 33.1 pt -71.55 -29.78 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.848 177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -59.15 -44.67 92.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.543 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.11 -28.89 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.105 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.529 ' O ' ' HB2' ' B' ' 51' ' ' HIS . 57.3 t80 -63.3 -45.49 91.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.573 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 65.4 mt -65.87 -49.7 67.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.646 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.0 -46.18 91.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.93 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.79 -27.26 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 47' ' ' TYR . 5.9 m-70 -89.39 -5.19 57.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.313 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t70 64.18 -76.66 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.054 0.846 . . . . 0.0 112.283 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 70.2 tttt 175.46 -51.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.659 0.742 . . . . 0.0 109.719 -173.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -121.46 166.84 13.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.014 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' B' ' 56' ' ' LYS . 17.2 pttp -132.84 40.78 3.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.015 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' B' ' 55' ' ' LYS . 33.7 tttm . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.747 -168.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 112.269 -0.333 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 63.93 105.23 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 123.056 0.542 . . . . 0.0 111.304 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 7' ' ' LEU . 20.9 Cg_exo -66.27 88.85 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.322 2.681 . . . . 0.0 112.231 178.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' HD2' HD21 ' A' ' 9' ' ' ASN . 52.7 m-85 63.34 -80.17 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.741 0.817 . . . . 0.0 111.483 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -106.49 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.183 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' HD2' ' A' ' 4' ' ' PRO . 45.6 tp -144.77 -73.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.134 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 98.4 mt -139.7 15.02 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.481 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.408 HD21 ' HD2' ' A' ' 5' ' ' TYR . 94.4 m-20 58.67 66.46 1.07 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.562 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.19 128.09 1.86 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 28.5 mm -114.75 142.46 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.598 -170.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 50.1 tptt -101.07 121.37 41.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.829 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' ' HA2' ' B' ' 14' ' ' GLY . 0.2 OUTLIER -120.19 132.74 55.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.353 -179.028 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.05 135.73 12.47 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.966 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.2 t -125.77 165.62 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.18 121.76 21.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 110.687 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.63 HD12 ' HE3' ' A' ' 21' ' ' TRP . 25.3 pt -142.68 153.58 61.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.255 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 42.5 Cg_exo -56.93 151.73 47.58 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.027 2.484 . . . . 0.0 113.047 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -56.21 -46.27 79.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 6.0 mm-40 -59.07 -26.34 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.645 0.26 . . . . 0.0 111.694 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.675 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 0.1 OUTLIER -83.46 -44.04 15.17 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' HD2' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -51.53 -51.66 53.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.459 0.647 . . . . 0.0 110.435 171.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 34.2 t70 -62.06 -42.99 99.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.569 -1.196 . . . . 0.0 112.119 -173.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 5.7 mpt_? -76.38 -27.11 56.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.236 -0.186 . . . . 0.0 110.932 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 21' ' ' TRP . 70.9 mt -64.03 -41.88 97.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 90.5 mmm -63.69 -34.51 78.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.792 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.7 mt-10 -63.14 -50.65 69.59 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.186 0.517 . . . . 0.0 109.886 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.65 -35.09 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.051 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.21 -29.28 70.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.466 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 26' ' ' MET . 51.9 mtmt -80.11 -36.63 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.417 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.12 -48.47 78.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.494 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -91.69 -4.27 55.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.055 -170.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 61.75 52.03 3.67 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.534 0.683 . . . . 0.0 110.741 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.5 mt -134.91 168.56 18.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.267 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -104.99 164.74 11.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 37' ' ' SER . 4.0 pp -59.55 -34.36 72.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.613 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.86 ' HA ' HG22 ' B' ' 15' ' ' VAL . 16.8 m -58.68 -41.21 85.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.328 176.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.2 -45.4 84.94 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.365 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.57 -35.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.65 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' B' ' 40' ' ' CYS . 2.0 t -68.66 -55.77 10.37 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.65 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.02 -37.11 73.69 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.914 -0.491 . . . . 0.0 111.804 173.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 69.8 mt -67.29 -23.71 65.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.461 0.648 . . . . 0.0 109.41 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.95 -43.5 62.23 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.174 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.2 pt -69.22 -30.06 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.729 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.31 -41.08 92.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.039 0.447 . . . . 0.0 109.875 172.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.66 -35.26 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.292 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -61.85 -45.6 93.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.094 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 84.5 mt -65.48 -50.8 63.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.47 -30.24 71.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.81 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -75.73 -33.1 60.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.831 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -88.58 -28.46 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.914 0.387 . . . . 0.0 110.697 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.8 79.09 2.64 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -85.15 -37.79 19.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.76 -175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 67.54 179.08 0.23 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.511 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -136.56 23.37 3.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.503 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm . . . . . 0 C--O 1.246 0.89 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.688 -172.581 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 61.07 85.28 0.18 Allowed Pre-proline 0 N--CA 1.465 0.324 0 O-C-N 123.784 0.343 . . . . 0.0 110.719 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.552 ' HG2' ' HA ' ' B' ' 8' ' ' LEU . 20.8 Cg_endo -63.24 92.45 0.15 Allowed 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 122.854 2.37 . . . . 0.0 112.751 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 58.8 -96.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.502 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -100.98 -39.48 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 tp -148.03 -89.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.365 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.552 ' HA ' ' HG2' ' B' ' 4' ' ' PRO . 98.1 mt -142.36 46.09 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.5 m120 58.94 29.52 19.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.624 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.98 147.69 13.73 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.928 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 31.2 mm -123.89 161.66 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.407 ' N ' HG22 ' B' ' 11' ' ' ILE . 48.1 tptt -98.99 138.49 36.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.453 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.3 pt? -142.24 163.86 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.511 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.736 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -150.31 126.15 2.1 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.007 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 37' ' ' SER . 48.3 t -109.03 153.18 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 -177.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.468 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 m-85 -114.22 124.92 53.24 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.386 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.653 HD12 ' HE3' ' B' ' 21' ' ' TRP . 23.9 pt -136.09 157.89 74.84 Favored Pre-proline 0 C--O 1.236 0.368 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.455 176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.41 177.78 3.65 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.74 2.96 . . . . 0.0 115.347 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' B' ' 20' ' ' GLU . 15.2 pt20 -61.02 -60.11 4.3 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.522 -176.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.577 ' H ' ' HG3' ' B' ' 19' ' ' GLN . 22.4 mm-40 -59.53 -18.58 41.65 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.927 0.394 . . . . 0.0 111.96 -174.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.653 ' HE3' HD12 ' B' ' 17' ' ' ILE . 10.3 m0 -78.77 -57.22 3.87 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' B' ' 26' ' ' MET . 44.7 t-80 -56.08 -43.12 77.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.508 -178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.32 -54.86 38.43 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.697 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mmt-85 -72.02 -35.6 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.278 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 -32.58 73.83 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.216 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 72.3 mmm -62.62 -41.1 98.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.67 0.271 . . . . 0.0 110.985 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 39.8 mt-10 -61.95 -49.94 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.154 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.09 -31.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.464 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -61.25 -42.11 98.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.275 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -79.52 -30.16 41.77 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.427 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 86.6 mt-10 -63.05 -49.1 75.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.815 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 10.9 mptt -95.42 -2.65 48.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.03 -174.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 66.08 46.4 2.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.388 0.613 . . . . 0.0 111.339 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -131.41 166.76 20.57 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.172 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 39' ' ' VAL . 73.3 p -104.63 160.15 15.19 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.868 173.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.7 pt? -58.45 -35.07 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.101 0.477 . . . . 0.0 110.065 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 15' ' ' VAL . 18.4 m -56.89 -44.82 82.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.526 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 69.4 m-20 -66.07 -48.67 70.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.383 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 35' ' ' THR . 58.9 t -59.56 -37.28 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.915 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.571 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.4 t -66.38 -59.03 4.06 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.704 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.675 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 17.6 ptt180 -59.66 -37.68 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 91.8 mt -68.8 -25.47 64.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.038 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.36 -24.35 59.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.514 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.571 ' HB ' ' CH2' ' A' ' 21' ' ' TRP . 51.2 mt -67.83 -38.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 42' ' ' LEU . 59.4 tptt -57.96 -41.88 83.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.867 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.95 -36.53 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 109.508 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -62.9 -47.8 81.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.097 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 72.3 mt -66.34 -46.09 78.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.3 -50.13 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.886 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.49 -14.12 57.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -89.07 -38.4 14.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.541 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -91.82 79.63 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -76.58 -22.92 53.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.753 -171.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 61.98 -171.27 0.16 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.797 0.685 . . . . 0.0 110.669 -176.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' B' ' 55' ' ' LYS . 29.6 mtpp -126.7 31.87 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 170.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' B' ' 56' ' ' LYS . 6.8 ptmm? . . . . . 0 C--O 1.25 1.123 0 O-C-N 124.733 1.271 . . . . 0.0 111.486 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 63.63 77.47 0.31 Allowed Pre-proline 0 N--CA 1.467 0.375 0 C-N-CA 122.743 0.417 . . . . 0.0 110.86 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG3' ' OD1' ' A' ' 9' ' ' ASN . 55.7 Cg_endo -70.04 -27.76 24.75 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.933 2.422 . . . . 0.0 113.203 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -141.06 -68.58 0.4 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.508 0.671 . . . . 0.0 109.277 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -147.74 -53.97 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.179 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.79 175.52 5.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -91.02 70.28 6.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.731 0.3 . . . . 0.0 111.175 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' OD1' ' HG3' ' A' ' 4' ' ' PRO . 18.6 m120 55.95 25.11 8.32 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.959 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.39 142.41 7.83 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 mm -127.25 147.5 32.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -173.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -100.87 121.37 41.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.206 0.527 . . . . 0.0 110.17 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HB3' ' CD1' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -125.31 164.15 20.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.9 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.593 ' HA3' ' HZ1' ' B' ' 12' ' ' LYS . . . -145.61 136.28 6.37 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.424 -175.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.6 165.54 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.699 ' HA ' ' O ' ' B' ' 11' ' ' ILE . 4.6 m-85 -128.04 110.68 12.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.95 0.405 . . . . 0.0 110.309 171.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.693 HG12 HD22 ' B' ' 13' ' ' LEU . 32.1 pt -121.71 147.12 47.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.444 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.37 174.62 8.9 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.799 2.333 . . . . 0.0 113.823 -173.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 1.6 tp-100 -50.51 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.399 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 33.4 mt-10 -49.34 -26.6 3.24 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -81.24 -53.36 6.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -176.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.36 -42.14 98.87 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.88 -52.78 61.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.452 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -73.5 -35.22 65.6 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.624 -175.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 25' ' ' LEU . 21.9 mt -64.11 -48.19 77.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.349 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.602 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 86.5 mmm -64.49 -30.6 71.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -66.18 -50.81 62.61 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.242 0.544 . . . . 0.0 110.088 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.63 -34.47 65.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.411 0.624 . . . . 0.0 109.441 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -63.37 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.642 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 26' ' ' MET . 55.8 mttp -77.22 -49.71 14.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -35.96 78.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.254 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -91.58 -10.97 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.667 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 57.0 51.35 10.68 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.787 0.803 . . . . 0.0 109.901 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 90.0 mt -130.09 167.22 18.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.186 -178.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.3 p -104.22 155.18 18.94 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -61.79 -24.66 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 172.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.032 ' HA ' HG22 ' B' ' 15' ' ' VAL . 23.0 m -60.41 -47.34 86.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.967 169.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 31.6 m-20 -61.71 -50.34 72.83 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.57 -32.5 53.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.056 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' B' ' 40' ' ' CYS . 2.2 t -70.46 -54.09 13.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.966 0.413 . . . . 0.0 111.274 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.956 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.1 OUTLIER -66.21 -31.91 73.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.108 -0.37 . . . . 0.0 111.87 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 86.7 mt -73.5 -18.45 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.75 -46.58 58.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.271 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' B' ' 40' ' ' CYS . 5.2 pt -69.4 -29.32 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.074 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 12.8 tmtt? -60.17 -44.82 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 172.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -68.73 -33.86 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.34 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -62.68 -46.7 86.93 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.679 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 79.8 mt -66.67 -44.93 80.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.86 -39.96 86.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.479 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -77.89 -16.92 57.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.619 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -92.23 -22.72 19.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.226 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -92.49 52.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.005 0.907 . . . . 0.0 110.021 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -82.25 -61.25 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 68.28 153.68 0.1 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.775 0.798 . . . . 0.0 112.833 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -120.9 99.69 6.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.785 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.602 -177.645 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -108.4 116.43 56.46 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.563 0.22 . . . . 0.0 110.655 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.5 -28.1 45.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.668 2.245 . . . . 0.0 111.374 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -145.31 -69.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.898 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.432 ' HG3' HD22 ' B' ' 7' ' ' LEU . 38.3 pttt -150.46 -51.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.831 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' B' ' 6' ' ' LYS . 3.4 mm? -90.89 152.27 20.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -90.49 77.94 6.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.855 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.07 33.2 22.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.171 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.21 119.64 0.89 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.092 -1.052 . . . . 0.0 112.602 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.699 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 24.2 mm -108.84 151.65 11.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.669 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 56.0 tptt -100.39 126.05 46.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.541 0.686 . . . . 0.0 111.156 -172.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.693 HD22 HG12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -133.13 159.85 38.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.772 178.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 119.01 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.034 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 1.032 HG22 ' HA ' ' A' ' 37' ' ' SER . 25.0 t -108.13 145.17 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.48 0.181 . . . . 0.0 110.955 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.27 126.0 51.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.423 171.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.955 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 18.6 pt -140.77 155.91 69.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.775 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.27 156.83 23.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.564 2.843 . . . . 0.0 113.93 -177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.853 HE21 ' HA ' ' B' ' 19' ' ' GLN . 0.0 OUTLIER -66.19 -35.71 81.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.369 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' B' ' 20' ' ' GLU . 1.7 mp0 -54.12 -34.88 61.42 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.749 0.785 . . . . 0.0 110.149 177.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.956 ' HZ3' ' HB2' ' A' ' 41' ' ' ARG . 38.3 m0 -76.74 -45.13 30.37 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.245 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.521 ' O ' ' HG2' ' B' ' 26' ' ' MET . 0.1 OUTLIER -56.15 -44.56 79.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 178.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -54.89 -51.24 66.6 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -73.15 -39.67 65.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.709 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 44' ' ' ILE . 71.3 mt -66.19 -48.12 71.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.07 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 89.6 mmm -65.58 -25.51 67.44 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.039 0.447 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 5.0 tp10 -64.73 -49.84 69.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.93 -29.58 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.102 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.03 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.182 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 26' ' ' MET . 38.5 mttp -78.99 -40.01 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 28.8 mm-40 -60.64 -59.11 5.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.778 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -95.71 -2.44 47.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 65.89 55.18 0.97 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.679 0.752 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.45 166.17 15.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.438 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.447 ' O ' HG23 ' B' ' 39' ' ' VAL . 71.5 p -105.67 160.75 14.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' HB3' ' A' ' 13' ' ' LEU . 1.9 pt? -55.0 -42.56 72.67 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -43.2 91.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.503 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.426 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 22.0 m-20 -63.25 -46.56 86.32 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.731 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.725 HG11 HD22 ' B' ' 25' ' ' LEU . 58.0 t -60.56 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 123.197 0.311 . . . . 0.0 111.493 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.88 ' HA ' HG23 ' A' ' 44' ' ' ILE . 17.6 m -65.91 -55.76 15.26 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.144 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.773 ' HB2' ' CH2' ' A' ' 21' ' ' TRP . 5.8 ppt_? -61.43 -30.71 70.74 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.73 -31.97 72.96 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.728 -0.607 . . . . 0.0 110.077 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -75.64 -21.47 57.68 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.657 176.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.488 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 53.9 mt -68.37 -39.29 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' B' ' 45' ' ' LYS . 13.2 tmtt? -56.33 -48.16 77.3 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.255 174.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -26.88 63.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.918 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -63.6 -49.96 71.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 51.3 mt -66.29 -45.08 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.912 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.97 -43.17 95.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.638 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.11 -22.34 45.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.548 -176.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -89.33 -37.08 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.624 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -105.27 66.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.514 0.673 . . . . 0.0 109.956 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -89.94 -42.23 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 68.45 125.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.406 0.682 . . . . 0.0 112.113 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -82.45 86.12 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.891 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.141 -177.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.37 136.61 19.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.92 167.85 2.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 110.837 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.21 -32.5 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.978 -168.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 8' ' ' LEU . 12.3 pttm -99.76 18.81 17.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.535 171.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.96 -29.33 0.17 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.027 0.931 . . . . 0.0 112.874 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 6' ' ' LYS . 44.4 tp -86.55 130.57 34.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 25.2 t-20 -83.02 -24.14 32.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.025 -172.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.04 166.01 32.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 119.401 -1.38 . . . . 0.0 113.559 -171.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mm -110.98 158.34 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' B' ' 16' ' ' TYR . 23.3 tptm -100.11 123.4 44.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.525 . . . . 0.0 110.777 -175.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.6 OUTLIER -131.61 139.22 49.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.107 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.83 115.6 5.13 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.492 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.3 t -104.56 134.44 45.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.708 0.29 . . . . 0.0 110.256 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -107.43 119.63 39.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 175.47 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.873 HD12 ' HE3' ' A' ' 21' ' ' TRP . 1.8 pt -136.41 149.73 68.51 Favored Pre-proline 0 C--O 1.237 0.431 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.381 178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.858 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 72.5 Cg_exo -52.1 144.93 35.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.42 2.747 . . . . 0.0 112.968 -178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.931 ' OE1' ' HD3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -68.07 -24.29 65.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.435 -178.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.604 ' OE2' ' ND2' ' B' ' 9' ' ' ASN . 18.4 mt-10 -55.43 -36.57 66.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.688 0.756 . . . . 0.0 109.891 173.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.934 ' HZ3' ' HB2' ' B' ' 41' ' ' ARG . 45.0 m0 -77.98 -35.69 49.83 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.288 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.885 ' CD2' ' HB ' ' B' ' 11' ' ' ILE . 18.3 m-70 -59.49 -45.45 91.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.656 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.67 -53.12 61.34 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 111.187 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 9.9 mpt_? -71.2 -45.8 62.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.159 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD11 HD12 ' B' ' 44' ' ' ILE . 78.2 mt -67.64 -37.86 83.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.549 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.4 mmm -64.36 -31.18 72.28 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.492 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 27' ' ' GLU . 1.3 tp10 -65.79 -43.92 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.425 0.631 . . . . 0.0 109.728 175.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.28 -36.08 76.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.877 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.37 -29.14 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.694 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 26' ' ' MET . 52.1 mttp -79.2 -32.92 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.57 -42.74 98.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.044 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.29 -7.27 39.25 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.22 57.27 2.99 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.956 0.884 . . . . 0.0 109.686 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 74.8 mt -138.73 168.48 19.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.955 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -103.5 144.3 31.59 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.493 HD13 HD13 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -59.13 -18.38 35.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -175.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 p -62.76 -49.23 75.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.413 171.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 15.4 t70 -66.77 -39.67 87.93 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.265 0.555 . . . . 0.0 109.875 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.38 -31.64 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.746 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.635 ' CB ' ' HG ' ' B' ' 40' ' ' CYS . 4.3 t -69.6 -48.42 60.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.742 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' O ' ' HH2' ' B' ' 21' ' ' TRP . 5.1 ppt_? -62.73 -34.72 77.78 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.906 -0.497 . . . . 0.0 110.62 172.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 75.5 mt -64.3 -28.55 69.79 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.615 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -72.07 -30.47 65.16 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.837 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 32.1 mt -67.69 -42.0 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -58.3 -38.67 77.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.395 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.52 -36.82 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.426 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -65.08 -43.55 91.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.449 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 83.0 mt -66.02 -49.54 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.35 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.85 -29.04 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.4 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -81.86 -44.73 16.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.135 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -88.21 -26.94 22.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -171.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -102.14 130.19 48.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -106.71 -47.02 3.84 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.512 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -157.12 32.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -95.8 142.02 28.57 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.845 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.788 -177.552 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -121.23 139.36 29.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.63 ' HB3' ' HB2' ' B' ' 9' ' ' ASN . 51.7 Cg_exo -56.02 144.98 77.08 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.558 2.172 . . . . 0.0 111.277 174.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -81.54 -15.17 55.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -170.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.931 ' HD3' ' OE1' ' A' ' 19' ' ' GLN . 12.5 ptmm? -148.31 50.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.098 0.475 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.1 mt 65.0 -77.99 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.64 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 10' ' ' GLY . 29.8 tp -92.9 93.33 8.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.301 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.63 ' HB2' ' HB3' ' B' ' 4' ' ' PRO . 3.4 t-20 -79.47 43.68 0.57 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.087 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.858 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -165.45 133.84 3.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.885 ' HB ' ' CD2' ' A' ' 22' ' ' HIS . 26.6 mm -115.71 159.93 15.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 22.1 tptm -99.42 133.04 44.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.147 0.499 . . . . 0.0 111.723 -170.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.733 HD21 HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -134.77 132.51 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.254 174.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.48 123.5 7.71 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.989 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 41' ' ' ARG . 10.5 t -113.99 152.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.729 0.299 . . . . 0.0 110.981 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 12' ' ' LYS . 11.1 m-85 -118.53 120.73 38.39 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.116 169.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.3 pt -129.56 144.22 52.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 51.2 Cg_exo -54.39 157.7 11.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.866 3.044 . . . . 0.0 113.869 -173.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -62.61 -31.88 72.79 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.626 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.98 -30.44 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.737 0.779 . . . . 0.0 109.97 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.739 ' HH2' ' O ' ' A' ' 41' ' ' ARG . 7.8 m0 -79.04 -45.0 21.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.594 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' B' ' 26' ' ' MET . 22.2 t-80 -56.54 -37.18 70.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.864 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.9 -59.04 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.476 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -70.93 -49.56 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.821 -174.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.73 -47.92 76.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.512 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 97.0 mmm -67.01 -27.11 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.698 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HA ' ' OE1' ' B' ' 27' ' ' GLU . 4.7 tp10 -65.15 -42.02 94.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.393 173.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.12 -31.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.73 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.68 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.424 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' B' ' 27' ' ' GLU . 37.2 mttp -79.47 -43.86 22.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 0.0 109.606 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.95 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.096 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -95.56 -1.88 49.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 64.79 56.06 1.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.683 0.754 . . . . 0.0 110.315 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -133.78 166.37 22.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.109 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 39' ' ' VAL . 44.7 p -104.51 159.85 15.41 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 172.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 13' ' ' LEU . 2.3 pt? -59.03 -32.99 70.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.989 0.423 . . . . 0.0 110.145 177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.1 m -59.0 -46.2 88.76 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.759 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 27.1 m-20 -63.3 -41.63 98.98 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.308 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 35' ' ' THR . 62.5 t -61.55 -36.15 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.635 ' HG ' ' CB ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -65.47 -61.2 2.24 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.996 0.426 . . . . 0.0 110.243 -178.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.934 ' HB2' ' HZ3' ' A' ' 21' ' ' TRP . 4.5 ppt_? -59.0 -33.02 70.23 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 77.2 mt -68.42 -27.36 66.13 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.48 -0.763 . . . . 0.0 109.787 177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -37.42 65.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.671 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.582 HD12 HD11 ' A' ' 25' ' ' LEU . 2.7 pt -69.54 -28.93 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.715 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -56.02 -48.63 75.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.245 0.545 . . . . 0.0 109.743 171.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.12 -31.47 69.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.741 0.781 . . . . 0.0 109.835 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -64.55 -42.42 95.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.429 -177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 82.0 mt -65.69 -46.07 80.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.387 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.26 -47.05 82.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.82 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -82.02 -19.73 39.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -91.84 -33.12 15.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.356 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -123.99 113.39 18.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -111.43 4.81 19.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.081 -166.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.0 -48.85 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -84.44 166.13 17.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.0 111.476 -174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.74 -175.066 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 112.071 -0.411 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 26.1 mtm180 -99.97 120.23 57.5 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 3' ' ' ARG . 2.2 Cg_endo -39.56 100.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 125.333 4.022 . . . . 0.0 115.601 -165.202 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 66.27 -73.05 0.07 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.012 -0.994 . . . . 0.0 113.567 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.19 37.68 3.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.46 90.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.603 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB3' HD11 ' A' ' 11' ' ' ILE . 3.3 mm? 66.02 95.3 0.06 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.595 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -87.24 -18.49 30.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.23 143.38 8.72 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 8' ' ' LEU . 15.4 mm -118.74 158.26 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -99.95 131.72 45.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.36 0.6 . . . . 0.0 111.488 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -127.16 136.61 52.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.503 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.43 118.22 5.88 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.037 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 25.6 t -108.22 144.61 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.64 121.45 40.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.525 174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' HE3' ' A' ' 21' ' ' TRP . 30.1 pt -139.68 152.63 68.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.787 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 37.1 Cg_endo -64.91 168.21 14.16 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.335 2.69 . . . . 0.0 113.197 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 22' ' ' HIS . 1.7 pt20 -72.88 -28.05 62.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.381 -176.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 1.6 mp0 -56.9 -39.37 74.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.015 0.912 . . . . 0.0 109.135 174.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.765 ' CZ3' ' HB2' ' B' ' 41' ' ' ARG . 5.2 m0 -73.91 -43.91 56.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.257 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 1.4 m-70 -58.48 -42.25 87.09 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.267 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.75 -49.63 76.96 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.113 0.482 . . . . 0.0 110.966 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -71.74 -39.12 70.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.285 -177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.576 HD21 HD12 ' B' ' 44' ' ' ILE . 1.5 mm? -63.29 -48.76 76.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.13 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.21 -40.06 94.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.8 -45.81 73.72 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.567 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.53 -38.65 82.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 110.671 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.86 -44.63 96.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -77.56 -26.32 50.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.308 0.575 . . . . 0.0 110.058 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -63.08 -42.78 99.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.558 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -95.51 -3.01 47.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.78 40.76 5.43 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.553 0.692 . . . . 0.0 111.11 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 92.5 mt -126.28 168.66 13.8 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.522 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -103.34 156.86 17.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.3 pt? -57.09 -32.93 66.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.575 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.3 m -56.36 -45.8 80.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.726 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 66.1 m-20 -64.15 -44.9 90.71 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.72 -38.95 80.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.008 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' ' SG ' ' B' ' 40' ' ' CYS . 0.1 OUTLIER -68.78 -54.34 16.48 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.363 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.726 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.5 ppt_? -60.19 -34.3 73.42 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.917 -0.489 . . . . 0.0 111.983 175.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 87.8 mt -68.31 -29.79 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.315 0.578 . . . . 0.0 109.562 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.27 -28.16 62.94 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.585 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HB ' ' CH2' ' B' ' 21' ' ' TRP . 63.5 mt -66.98 -37.59 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -59.95 -38.71 83.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.355 173.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.658 ' HG3' ' CD1' ' B' ' 47' ' ' TYR . 12.1 mm-40 -68.85 -35.7 77.25 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.518 0.675 . . . . 0.0 109.346 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -63.5 -45.47 90.54 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.797 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD21 HD11 ' B' ' 25' ' ' LEU . 84.3 mt -67.35 -38.95 85.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.909 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.77 -47.32 84.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.6 -36.46 23.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -89.6 -66.25 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.171 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' HE2' ' A' ' 55' ' ' LYS . 31.9 t70 62.49 131.17 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 172.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -135.07 -47.63 0.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.253 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -152.01 138.62 18.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.667 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HE2' ' OD1' ' A' ' 52' ' ' ASP . 65.7 mttt -110.45 14.2 22.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.44 -171.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.651 ' O ' ' NH2' ' B' ' 24' ' ' ARG . 59.4 pttt . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.643 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.765 ' HB3' ' HA ' ' B' ' 7' ' ' LEU . 87.9 mtm180 -130.57 88.16 47.78 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 159.94 41.95 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.374 2.716 . . . . 0.0 113.556 -173.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 64.56 -91.03 0.03 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.65 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -149.45 84.72 1.43 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.347 0.594 . . . . 0.0 110.254 174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.765 ' HA ' ' HB3' ' B' ' 3' ' ' ARG . 1.8 mm? 58.78 41.92 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.669 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.473 HD23 ' HG2' ' B' ' 3' ' ' ARG . 3.7 mm? 70.8 136.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.775 0.797 . . . . 0.0 111.791 -176.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.52 18.55 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.286 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.04 112.75 0.52 Allowed Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.173 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.518 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.4 mm -104.85 154.93 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -98.02 123.58 42.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.62 0.724 . . . . 0.0 111.603 -168.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -129.94 135.02 47.85 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.739 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 121.8 7.14 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.108 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 37' ' ' SER . 50.7 t -104.39 154.53 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -126.47 126.67 44.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.525 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.698 HD12 ' HE3' ' B' ' 21' ' ' TRP . 27.1 pt -143.12 155.72 61.79 Favored Pre-proline 0 C--O 1.235 0.333 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.143 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.17 158.84 6.39 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.703 2.935 . . . . 0.0 113.508 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG3' ' OE2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -76.14 -31.74 58.75 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.126 179.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.518 ' OE2' ' HG3' ' B' ' 19' ' ' GLN . 2.1 pm0 -61.1 -23.97 65.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 110.298 171.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.698 ' HE3' HD12 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -80.78 -42.77 21.2 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.428 176.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' B' ' 26' ' ' MET . 13.5 m-70 -59.76 -35.72 75.18 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.149 0.5 . . . . 0.0 109.845 174.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.81 -64.78 0.81 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.208 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.651 ' NH2' ' O ' ' A' ' 56' ' ' LYS . 52.6 mmt-85 -73.35 -51.9 15.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.0 mm? -65.77 -40.25 91.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.396 -171.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.586 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 0.0 OUTLIER -68.48 -29.55 68.19 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.276 178.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.69 -37.62 85.11 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.611 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.426 HD12 HD13 ' B' ' 25' ' ' LEU . 73.3 mt -65.81 -35.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.524 0.678 . . . . 0.0 109.265 174.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.31 -29.26 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.912 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' B' ' 26' ' ' MET . 59.1 mttp -78.41 -39.66 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 177.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.509 ' HG3' ' NZ ' ' B' ' 32' ' ' LYS . 15.8 tp10 -61.61 -43.99 97.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.266 -1.333 . . . . 0.0 111.104 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.864 ' HA ' ' HE3' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -95.82 -2.95 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -176.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.4 m120 64.97 44.76 3.35 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.512 0.672 . . . . 0.0 111.119 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 96.8 mt -132.92 169.31 16.96 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.928 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 53.1 p -103.28 160.25 14.84 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.484 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.5 pt? -60.28 -32.91 71.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.804 0.335 . . . . 0.0 110.372 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 15' ' ' VAL . 14.8 m -58.37 -41.55 85.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.45 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 31.5 m-20 -63.32 -48.78 76.61 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.051 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.05 -35.14 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.76 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.892 ' SG ' ' HB3' ' A' ' 40' ' ' CYS . 1.9 t -65.51 -56.1 14.19 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.97 0.414 . . . . 0.0 110.718 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.765 ' HB2' ' CZ3' ' A' ' 21' ' ' TRP . 4.4 ppt_? -63.95 -37.3 86.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 94.6 mt -67.3 -23.97 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.565 -0.709 . . . . 0.0 109.92 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.43 69.55 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.765 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 33.6 pt -70.46 -26.19 28.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.421 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.67 -42.78 97.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.028 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.84 -35.4 74.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.715 0.769 . . . . 0.0 108.984 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.658 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 58.3 t80 -62.08 -45.47 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.348 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.6 mt -65.83 -47.83 73.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.606 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -63.08 -38.54 91.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.271 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.43 HD22 ' N ' ' B' ' 50' ' ' ASN . 0.9 OUTLIER -77.83 -34.34 51.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.021 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -88.33 -51.99 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 53.64 100.71 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.65 -16.68 8.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.585 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -157.39 151.14 24.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.798 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -104.56 -7.55 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.246 0.546 . . . . 0.0 109.967 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.0 pttt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.347 -178.233 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.657 ' HG3' ' HA ' ' A' ' 7' ' ' LEU . 56.9 ttp180 -160.91 81.57 2.1 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.804 0.302 . . . . 0.0 111.275 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.05 -52.42 0.91 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.432 2.088 . . . . 0.0 111.149 172.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -143.61 -75.07 0.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.79 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 46.92 1.36 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 -177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.657 ' HA ' ' HG3' ' A' ' 3' ' ' ARG . 46.8 tp 59.75 -94.41 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.927 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' HG ' ' A' ' 7' ' ' LEU . 90.4 mt -91.07 112.0 23.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.843 0.354 . . . . 0.0 110.472 -176.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.801 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 19.2 p-10 -83.26 63.57 7.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.835 0.826 . . . . 0.0 109.444 174.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.24 129.15 2.16 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.891 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 4.7 mp -129.59 149.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -172.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 4.8 tmmm? -100.53 127.89 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.403 0.62 . . . . 0.0 110.073 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -121.96 150.54 41.88 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.524 -175.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.46 111.26 3.97 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.623 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.721 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 34.7 t -103.71 141.36 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.56 121.74 39.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.328 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.632 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.3 pt -139.91 149.62 59.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.297 . . . . 0.0 110.895 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.94 ' HA ' ' HA2' ' B' ' 10' ' ' GLY . 33.4 Cg_exo -59.05 160.17 19.52 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.717 2.945 . . . . 0.0 114.041 -175.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.949 ' OE1' ' HG2' ' B' ' 6' ' ' LYS . 19.8 pt20 -63.9 -30.09 71.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.433 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 27.3 mt-10 -56.53 -37.63 70.73 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.952 0.882 . . . . 0.0 109.501 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.632 ' HE3' HD12 ' A' ' 17' ' ' ILE . 13.9 m0 -77.57 -52.51 8.93 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.657 -177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' B' ' 11' ' ' ILE . 36.3 t-80 -53.58 -44.81 69.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.44 -50.82 68.24 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 10.1 mpt_? -74.2 -35.79 63.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.897 0.379 . . . . 0.0 111.072 -174.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 3.6 mm? -66.49 -48.74 68.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.76 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.475 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 94.0 mmm -63.72 -27.07 68.96 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.79 -54.02 45.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.542 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.61 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.303 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -61.9 -36.43 81.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.273 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -78.0 -32.77 51.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -49.89 74.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.937 176.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -87.33 -5.2 58.98 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 HD22 ' N ' ' A' ' 33' ' ' ASN . 0.9 OUTLIER 64.87 45.55 3.22 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.241 0.543 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.0 mt -129.33 166.5 19.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.597 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 39' ' ' VAL . 75.1 p -104.83 157.07 17.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -59.82 -27.71 66.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.353 . . . . 0.0 110.226 174.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.052 ' HA ' HG22 ' B' ' 15' ' ' VAL . 14.2 m -60.14 -48.37 81.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.172 170.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.543 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 36.3 m-20 -63.71 -47.7 80.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 35' ' ' THR . 56.4 t -63.85 -28.9 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.1 -177.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.6 t -69.87 -51.2 35.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.543 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 4.8 ppt_? -67.13 -31.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.975 -0.453 . . . . 0.0 111.292 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 90.9 mt -71.52 -21.23 61.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.319 0.58 . . . . 0.0 110.259 174.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -70.17 -50.48 39.84 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.032 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.777 HG23 ' HA ' ' B' ' 40' ' ' CYS . 1.6 pt -70.01 -22.03 24.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -56.65 -49.71 74.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.14 0.495 . . . . 0.0 109.679 170.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.13 -36.17 72.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.892 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 72.5 t80 -61.19 -42.25 98.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.571 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 78.3 mt -63.8 -50.87 67.27 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.763 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -60.33 -36.88 78.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -78.07 -28.52 48.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' HD2' ' O ' ' A' ' 47' ' ' TYR . 7.4 p80 -95.02 -31.65 13.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.548 177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 51.45 -149.71 0.32 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.8 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -93.63 -47.12 6.96 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.412 ' HB2' HE21 ' A' ' 54' ' ' GLN . 2.1 pt20 -155.37 -178.36 7.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.848 173.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -122.4 126.42 47.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.407 . . . . 0.0 110.604 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.375 -0.822 . . . . 0.0 109.921 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.86 ' HG3' ' HA ' ' B' ' 7' ' ' LEU . 12.8 ttp180 -140.36 77.16 24.59 Favored Pre-proline 0 C--N 1.329 -0.326 0 O-C-N 122.697 -0.296 . . . . 0.0 110.982 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.85 -48.3 7.1 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.492 2.128 . . . . 0.0 112.322 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -146.48 -80.85 0.15 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.703 0.287 . . . . 0.0 111.113 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.949 ' HG2' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -89.56 55.79 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.804 0.335 . . . . 0.0 110.817 -177.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.86 ' HA ' ' HG3' ' B' ' 3' ' ' ARG . 37.1 tp 63.82 -91.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.012 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.8 mt -93.81 120.15 33.71 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 21.6 p-10 -82.07 56.42 3.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.316 0.579 . . . . 0.0 110.942 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.94 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -158.53 147.66 15.69 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.408 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.758 ' CD1' ' HA ' ' A' ' 19' ' ' GLN . 3.7 mp -119.46 150.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.69 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -100.53 130.15 46.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.286 0.565 . . . . 0.0 109.949 -176.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.721 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -128.86 139.85 51.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.599 -176.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.484 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -104.26 118.95 6.11 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 1.052 HG22 ' HA ' ' A' ' 37' ' ' SER . 37.2 t -110.7 146.02 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -109.44 124.87 51.76 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.709 HD12 ' HE3' ' B' ' 21' ' ' TRP . 25.1 pt -140.51 150.45 60.73 Favored Pre-proline 0 C--O 1.236 0.391 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.801 ' HA ' ' O ' ' A' ' 9' ' ' ASN . 36.4 Cg_exo -61.87 156.11 50.76 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.876 3.051 . . . . 0.0 113.582 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.461 ' HG2' ' HB2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.07 -24.78 61.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.119 -176.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.624 ' CD ' HD22 ' A' ' 9' ' ' ASN . 2.2 mp0 -55.3 -33.45 63.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 173.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' B' ' 17' ' ' ILE . 36.3 m0 -79.12 -43.56 23.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.706 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.891 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 47.5 m-70 -55.46 -40.79 72.05 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.28 -65.76 0.62 Allowed 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.22 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -73.08 -48.75 33.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.721 -171.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.631 HD11 HD21 ' A' ' 48' ' ' LEU . 4.2 mm? -66.2 -45.13 81.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.607 -174.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.669 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 81.7 mmm -66.12 -30.52 71.03 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.923 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.07 -38.16 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.401 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.39 -37.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.556 175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.86 -25.51 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.525 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 26' ' ' MET . 33.3 mmtp -77.77 -43.14 31.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -46.33 89.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -92.12 -2.05 56.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.67 51.98 0.78 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.203 0.525 . . . . 0.0 111.545 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 92.3 mt -134.69 167.18 21.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.905 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 39' ' ' VAL . 80.1 p -104.64 164.22 11.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 169.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.651 ' HB3' ' SD ' ' B' ' 26' ' ' MET . 2.2 pt? -56.36 -39.89 73.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.511 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 14.6 m -56.26 -43.52 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.644 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 58.4 m-20 -64.05 -45.6 88.1 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.57 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 35' ' ' THR . 57.2 t -61.91 -42.42 94.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -175.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.777 ' HA ' HG23 ' A' ' 44' ' ' ILE . 24.8 m -63.7 -57.28 10.48 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.614 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.644 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.4 ppt_? -62.01 -33.72 74.87 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 42' ' ' LEU . 55.5 mt -66.36 -31.98 73.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.376 0.608 . . . . 0.0 109.75 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.892 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.16 -22.22 60.54 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.434 175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.544 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 65.6 mt -67.27 -42.04 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.19 -40.48 81.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.039 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.09 -38.42 75.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.4 0.619 . . . . 0.0 109.957 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -62.14 -43.69 98.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.936 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 62.0 mt -69.44 -56.44 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.731 176.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -63.9 -13.83 48.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.514 -172.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.466 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 40.2 t-20 -68.56 -58.13 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.586 ' HA ' ' HE3' ' B' ' 55' ' ' LYS . 32.5 p-80 -95.27 -16.0 22.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.481 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 53.71 -140.21 0.96 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.525 0.516 . . . . 0.0 109.928 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.69 -44.86 22.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -156.58 154.66 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.826 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.586 ' HE3' ' HA ' ' B' ' 51' ' ' HIS . 94.6 mttt -101.55 124.7 47.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.522 -177.821 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.621 ' HD2' HD12 ' A' ' 8' ' ' LEU . 23.9 mmt180 -102.21 104.97 40.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.699 ' HB2' ' OE1' ' B' ' 19' ' ' GLN . 4.7 Cg_exo -74.65 148.3 36.77 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.676 2.25 . . . . 0.0 111.461 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.11 61.39 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.118 0.485 . . . . 0.0 111.888 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -140.14 -80.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.83 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.9 tp -147.21 50.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.334 0.588 . . . . 0.0 109.946 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD12 ' HD2' ' A' ' 3' ' ' ARG . 3.1 mm? 54.91 41.05 32.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.717 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' HB2' ' HG2' ' A' ' 4' ' ' PRO . 8.3 t-20 55.52 46.17 23.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.985 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.27 105.01 0.25 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.758 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.82 141.51 20.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -100.69 122.32 43.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.738 HD13 HD12 ' B' ' 36' ' ' LEU . 1.3 pt? -133.59 133.72 42.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.936 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.584 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -103.7 129.93 10.05 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.92 175.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' B' ' 37' ' ' SER . 43.9 t -112.47 152.09 14.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -116.52 120.66 39.43 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.568 0.223 . . . . 0.0 110.728 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.806 HD12 ' HE3' ' A' ' 21' ' ' TRP . 6.7 pt -140.63 156.04 69.31 Favored Pre-proline 0 C--N 1.32 -0.688 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.714 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.894 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 63.3 Cg_exo -53.79 145.9 47.93 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.336 2.69 . . . . 0.0 112.705 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 1.294 ' OE1' ' HG3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -75.3 -11.78 60.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.798 -178.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 24' ' ' ARG . 35.8 mt-10 -53.91 -42.18 68.46 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.862 0.839 . . . . 0.0 109.008 169.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.806 ' HE3' HD12 ' A' ' 17' ' ' ILE . 36.7 m0 -80.64 -34.66 34.76 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.078 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 1.259 ' CE1' ' HB ' ' B' ' 11' ' ' ILE . 42.2 m-70 -56.54 -38.14 71.46 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.904 175.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.55 -60.26 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.04 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 12.0 mpt_? -73.03 -44.82 60.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.782 -172.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 HD12 ' B' ' 44' ' ' ILE . 66.4 mt -63.49 -47.21 82.68 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.265 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.461 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 88.1 mmm -67.43 -29.23 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.679 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.53 -49.31 66.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.076 0.465 . . . . 0.0 109.837 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ARG . 66.1 mt -62.23 -35.65 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 109.755 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.08 -28.39 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -75.57 -45.21 39.13 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.32 -37.63 88.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.381 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.69 -5.49 42.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -174.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.35 43.07 2.79 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.778 0.799 . . . . 0.0 111.092 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.642 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 96.6 mt -128.54 170.05 13.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.392 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -109.15 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.963 168.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.6 pt? -58.98 -37.21 76.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.338 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' B' ' 15' ' ' VAL . 20.1 m -57.22 -43.78 83.12 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.505 176.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.61 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 44.8 m-20 -62.77 -51.17 68.16 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.4 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.09 -35.47 68.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.022 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.688 ' HA ' ' CG2' ' B' ' 44' ' ' ILE . 3.7 t -71.19 -53.55 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.518 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.681 ' HB3' HG11 ' B' ' 15' ' ' VAL . 6.4 ppt_? -61.48 -37.89 85.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.749 -0.595 . . . . 0.0 111.493 173.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -66.76 -23.71 66.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 121.664 -0.647 . . . . 0.0 109.909 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HG22 ' B' ' 44' ' ' ILE . . . -71.78 -33.43 68.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.725 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.634 ' CG1' ' HA ' ' B' ' 40' ' ' CYS . 47.2 mt -67.01 -42.67 88.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.38 -41.97 86.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.133 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' ' HD1' ' B' ' 47' ' ' TYR . 4.2 tp10 -70.58 -34.6 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 59.0 t80 -63.89 -48.66 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.249 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 64.9 mt -67.88 -54.46 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.534 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.9 -32.99 72.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.371 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -16.85 52.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.902 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -92.52 -51.32 5.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.245 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -93.48 74.19 4.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.222 1.011 . . . . 0.0 108.791 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -79.61 -68.46 0.66 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.174 -1.376 . . . . 0.0 110.961 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -93.6 6.19 49.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.364 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -120.42 93.72 4.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 mttp . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.062 174.473 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' B' ' 4' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -88.81 110.6 38.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.588 0.232 . . . . 0.0 110.44 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' B' ' 2' ' ' GLY . 2.0 Cg_endo -85.19 176.33 5.9 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.791 2.328 . . . . 0.0 110.936 175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -86.27 -10.54 54.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.556 0.693 . . . . 0.0 109.336 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 1.294 ' HG3' ' OE1' ' A' ' 19' ' ' GLN . 72.0 mmtt -93.89 -174.51 3.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.796 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -87.13 67.34 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.74 -174.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 56.84 28.87 15.14 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.874 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.894 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 65.4 t30 53.36 49.96 18.56 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.482 0.658 . . . . 0.0 110.616 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 17' ' ' ILE . . . -159.12 106.31 0.28 Allowed Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 1.259 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 34.8 mm -114.78 159.35 14.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -171.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.584 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -99.22 122.65 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.443 0.464 . . . . 0.0 110.068 -171.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -125.6 135.6 52.37 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.081 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.25 120.79 6.89 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.31 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 41' ' ' ARG . 14.9 t -107.31 158.77 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.414 ' HD1' ' HA ' ' B' ' 16' ' ' TYR . 0.0 OUTLIER -135.05 116.6 14.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' B' ' 21' ' ' TRP . 31.5 pt -140.55 150.37 60.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.957 -175.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' B' ' 21' ' ' TRP . 19.4 Cg_endo -61.45 163.78 16.98 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.926 2.417 . . . . 0.0 113.439 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.699 ' OE1' ' HB2' ' A' ' 4' ' ' PRO . 18.1 pt20 -66.51 -31.77 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.676 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.53 -35.99 54.57 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.988 0.899 . . . . 0.0 109.89 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' B' ' 17' ' ' ILE . 2.6 m95 -75.89 -56.7 4.42 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.18 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.579 ' O ' ' HG2' ' B' ' 26' ' ' MET . 28.3 t-80 -54.87 -43.08 72.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.53 -51.6 69.17 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.397 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -71.73 -35.25 70.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 21' ' ' TRP . 65.8 mt -65.52 -40.25 92.77 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.969 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' B' ' 22' ' ' HIS . 91.0 mmm -62.57 -38.92 91.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.382 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -65.08 -44.72 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.083 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.03 -39.83 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.516 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -62.89 -34.81 78.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -78.23 -34.55 49.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.551 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.04 -46.67 83.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.285 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -2.65 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.05 50.53 1.43 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.49 0.662 . . . . 0.0 111.24 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.588 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 85.0 mt -135.59 168.36 19.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.82 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -104.43 164.91 11.41 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.042 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.422 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.772 ' HA ' HG22 ' A' ' 15' ' ' VAL . 20.3 m -58.09 -39.9 79.77 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.279 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 69.2 m-20 -64.64 -44.12 91.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.411 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.88 -35.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.732 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.634 ' HA ' ' CG1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -65.65 -64.75 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.821 0.344 . . . . 0.0 110.206 -179.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 5.9 ppt_? -58.09 -33.83 69.5 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.68 -33.89 74.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.137 -0.977 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -72.6 -29.43 63.49 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.378 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.688 ' CG2' ' HA ' ' A' ' 40' ' ' CYS . 7.3 pt -72.42 -31.32 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.456 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -62.0 -34.66 76.59 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.478 173.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.84 -39.92 76.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.685 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.455 ' HA ' ' ND2' ' B' ' 50' ' ' ASN . 40.1 t80 -66.74 -45.15 79.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.248 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 78.6 mt -66.5 -45.65 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.445 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.65 -35.38 79.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.711 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' B' ' 47' ' ' TYR . 4.2 p30 -81.75 -15.48 54.17 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.76 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -92.35 -43.9 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.593 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -92.67 76.5 4.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.705 ' HG2' ' HG3' ' B' ' 54' ' ' GLN . 38.7 ttmt -48.57 -58.29 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.007 0.817 . . . . 0.0 110.771 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.705 ' HG3' ' HG2' ' B' ' 53' ' ' LYS . 44.0 mt-30 -144.61 25.28 1.49 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.914 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -111.77 38.52 2.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.2 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.036 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -97.6 113.49 63.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 54.6 Cg_endo -75.49 92.05 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.592 2.195 . . . . 0.0 113.325 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 66.67 -68.97 0.13 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.79 0.836 . . . . 0.0 112.782 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HG3' ' H ' ' A' ' 7' ' ' LEU . 14.6 ptmt -143.69 -68.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.375 -172.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' H ' ' HG3' ' A' ' 6' ' ' LYS . 63.5 mt -97.38 170.08 9.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.8 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -172.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 65.08 -69.94 0.09 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.682 0.793 . . . . 0.0 112.17 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.73 128.9 9.71 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 13.0 mm -114.74 150.03 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -173.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -99.9 132.15 45.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.343 0.592 . . . . 0.0 111.167 -168.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -129.63 145.01 51.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.789 178.443 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' CA ' ' HE3' ' B' ' 12' ' ' LYS . . . -102.39 122.01 7.38 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.861 -177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.974 ' HB ' ' HG ' ' B' ' 13' ' ' LEU . 8.8 t -113.8 150.74 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.636 ' CZ ' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -133.11 117.62 17.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.701 ' HB ' ' HD2' ' A' ' 18' ' ' PRO . 31.0 pt -138.26 159.21 69.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.681 -176.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB ' ' A' ' 17' ' ' ILE . 36.9 Cg_endo -63.72 162.13 29.54 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.005 2.47 . . . . 0.0 113.463 -170.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.519 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 mm-40 -60.5 -30.39 69.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.739 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 0.7 OUTLIER -78.57 -45.2 22.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.877 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 42.5 m-70 -58.77 -44.87 90.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.555 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -57.93 -51.94 67.56 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.256 0.348 . . . . 0.0 111.723 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 52.6 mmt-85 -76.27 -40.3 52.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.952 -174.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.61 -49.06 72.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.797 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 98.0 mmm -66.03 -25.59 67.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.71 0.29 . . . . 0.0 111.213 178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -67.61 -47.87 68.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.822 177.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.86 -37.65 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 109.207 173.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.661 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.18 -19.11 65.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.825 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 26' ' ' MET . 62.0 mttp -80.31 -45.86 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -62.41 -45.91 90.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.39 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -95.24 -7.54 38.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.435 -170.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 63.0 68.82 0.61 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.655 0.741 . . . . 0.0 110.905 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.661 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 93.4 mt -139.59 168.49 19.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.795 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 p -104.83 153.02 21.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 165.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 26' ' ' MET . 2.5 pt? -57.78 -33.85 68.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.335 0.516 . . . . 0.0 110.298 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.821 ' HA ' HG22 ' B' ' 15' ' ' VAL . 5.7 m -56.07 -43.2 77.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.217 176.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 64.8 m-20 -62.77 -39.8 95.32 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.67 -36.08 75.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.281 -176.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.655 ' C ' ' SG ' ' B' ' 40' ' ' CYS . 3.7 m -69.62 -51.36 35.7 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.13 0.49 . . . . 0.0 110.271 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.858 ' CG ' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -48.99 -48.11 43.67 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.298 170.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 93.6 mt -67.83 -30.43 69.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.063 0.458 . . . . 0.0 110.44 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -71.34 -32.81 68.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.884 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 27.5 mt -65.43 -39.52 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -56.67 -47.19 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.904 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' A' ' 50' ' ' ASN . 30.4 tt0 -71.07 -36.25 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -62.39 -44.0 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.488 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 81.7 mt -64.81 -37.59 88.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.264 0.554 . . . . 0.0 110.079 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.45 -43.56 97.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.534 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' ND2' ' OE2' ' B' ' 46' ' ' GLU . 63.5 m-20 -74.05 -31.93 63.09 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.705 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -90.7 -4.71 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.402 -175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 23.5 t70 60.72 -172.45 0.13 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.101 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 47.0 tttp -81.48 -41.54 21.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.136 0.493 . . . . 0.0 110.538 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -86.95 148.22 25.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.341 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 3.1 mptp? -129.41 84.02 2.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tptp . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.982 -178.143 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -159.17 96.23 1.69 Allowed Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.83 88.68 0.1 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.441 2.761 . . . . 0.0 112.833 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.3 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.674 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HG3' ' HG ' ' B' ' 7' ' ' LEU . 20.4 ptmt -141.79 4.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.379 -171.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HG ' ' HG3' ' B' ' 6' ' ' LYS . 89.2 mt -142.89 157.42 44.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -175.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.51 62.22 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.724 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 57.3 m-80 71.71 -44.24 0.59 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.834 0.853 . . . . 0.0 112.802 177.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 18' ' ' PRO . . . -159.36 167.26 35.0 Favored Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.006 -172.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.877 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 21.2 mm -110.81 161.47 9.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.874 ' HD2' ' O ' ' A' ' 15' ' ' VAL . 22.2 tptm -99.39 131.46 45.39 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 111.105 -173.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.974 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 1.1 pt? -135.4 166.27 23.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.62 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.49 127.56 2.87 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.58 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 37' ' ' SER . 61.2 t -104.72 146.89 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.03 116.82 32.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.662 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.858 HG22 ' CG ' ' A' ' 41' ' ' ARG . 25.9 pt -139.63 149.78 60.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.234 177.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -52.83 151.37 20.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 123.436 2.757 . . . . 0.0 113.071 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -62.5 -25.33 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 21.7 mm-40 -59.11 -32.47 69.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.316 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 41' ' ' ARG . 13.3 m0 -75.52 -44.06 45.61 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.434 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 14.1 m-70 -51.18 -52.17 46.76 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.628 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.36 -49.44 77.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' B' ' 20' ' ' GLU . 67.6 mmt-85 -71.87 -46.33 58.26 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.456 -173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.531 HD22 HG11 ' B' ' 39' ' ' VAL . 92.5 mt -66.42 -46.28 77.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.994 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.698 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 93.4 mmm -64.85 -24.66 67.61 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -67.16 -48.44 68.0 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 121.243 0.544 . . . . 0.0 109.826 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.52 -35.05 68.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.847 0.832 . . . . 0.0 108.807 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.96 -20.91 66.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.017 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' B' ' 26' ' ' MET . 97.4 mttt -79.53 -43.76 22.47 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.658 ' HB2' ' HD2' ' B' ' 32' ' ' LYS . 46.9 mt-10 -60.22 -54.5 45.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.658 ' HD2' ' HB2' ' B' ' 31' ' ' GLU . 11.2 mptt -92.61 -1.57 56.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 t30 63.66 64.09 0.81 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.93 0.871 . . . . 0.0 110.189 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.737 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.3 mt -132.4 168.74 17.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.386 -177.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' B' ' 38' ' ' ASP . 78.1 p -114.12 162.29 16.68 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.789 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.4 pt? -61.2 -29.31 69.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.139 0.427 . . . . 0.0 110.154 173.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.53 -46.66 86.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.922 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.705 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 28.1 m-20 -65.17 -42.9 93.25 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.054 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.531 HG11 HD22 ' B' ' 25' ' ' LEU . 61.1 t -63.83 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.073 0.463 . . . . 0.0 110.683 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.655 ' SG ' ' C ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -64.94 -39.07 92.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.492 178.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.781 HH11 HD23 ' B' ' 42' ' ' LEU . 3.0 tmt_? -61.02 -45.47 94.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.247 172.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.781 HD23 HH11 ' B' ' 41' ' ' ARG . 79.8 mt -64.63 -29.39 70.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.299 0.571 . . . . 0.0 110.392 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.669 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -70.64 -46.58 63.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.399 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.61 ' O ' ' HG ' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -67.65 -29.16 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.785 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.85 -45.34 92.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' A' ' 50' ' ' ASN . 33.1 tt0 -73.08 -31.86 64.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.476 ' O ' ' HD2' ' B' ' 51' ' ' HIS . 63.3 t80 -59.96 -41.82 92.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.726 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 86.9 mt -65.39 -54.59 26.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.575 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.67 -26.19 68.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.156 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -73.94 -35.54 64.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.567 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' B' ' 47' ' ' TYR . 73.1 m-70 -89.92 -19.17 24.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 176.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 64.69 -74.88 0.05 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.221 -1.354 . . . . 0.0 113.676 166.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -165.93 -38.41 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.46 0.647 . . . . 0.0 109.658 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.88 85.74 7.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.196 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -83.84 79.75 9.37 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 tptp . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.603 -176.246 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -111.26 136.31 20.92 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.705 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 10.3 Cg_exo -72.33 -155.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.654 2.236 . . . . 0.0 110.959 174.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -81.4 129.89 34.82 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.824 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 60.78 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.125 0.97 . . . . 0.0 112.516 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.7 tp -145.14 78.0 1.54 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.705 ' HA ' ' HG2' ' A' ' 4' ' ' PRO . 84.5 mt 59.91 19.64 8.63 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.335 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 t30 55.22 53.11 10.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 122.075 0.94 . . . . 0.0 109.551 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.75 104.89 0.26 Allowed Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.797 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.77 161.7 4.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -172.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -98.52 131.01 45.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.279 0.561 . . . . 0.0 110.84 -171.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -133.57 128.77 35.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.699 177.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.0 120.54 6.71 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.443 -0.885 . . . . 0.0 112.025 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' B' ' 37' ' ' SER . 40.4 t -109.01 146.63 14.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.56 127.89 55.86 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' HE3' ' A' ' 21' ' ' TRP . 21.0 pt -138.36 145.72 48.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 123.261 0.351 . . . . 0.0 110.588 177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HA ' ' O ' ' B' ' 9' ' ' ASN . 27.7 Cg_exo -63.06 171.37 6.28 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.576 2.85 . . . . 0.0 114.569 -173.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.85 -44.11 94.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.105 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' CD ' HH22 ' A' ' 24' ' ' ARG . 8.0 mm-40 -54.21 -29.52 46.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.49 0.662 . . . . 0.0 111.127 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.653 ' CH2' ' HB2' ' B' ' 41' ' ' ARG . 8.3 m0 -76.63 -56.81 4.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.615 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.954 ' CD2' HG21 ' B' ' 11' ' ' ILE . 40.2 t-80 -54.11 -36.15 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 -178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.71 -66.2 0.57 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.316 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.434 HH22 ' CD ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -77.28 -38.74 50.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 4.5 mm? -63.3 -43.31 98.22 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.787 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.687 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 88.7 mmm -64.57 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.6 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.94 -41.75 90.9 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.862 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 24' ' ' ARG . 83.2 mt -61.96 -37.48 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.317 0.579 . . . . 0.0 109.663 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.16 -24.77 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.614 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HG2' ' O ' ' A' ' 26' ' ' MET . 32.1 mmtp -75.24 -40.26 59.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.96 -39.22 94.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.367 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -95.43 -3.19 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.85 40.7 7.31 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.221 0.534 . . . . 0.0 111.047 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 94.1 mt -128.43 166.96 17.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.715 -177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.3 p -106.3 165.22 11.41 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.0 pt? -58.99 -36.32 74.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.818 0.342 . . . . 0.0 110.408 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.747 ' HA ' HG22 ' B' ' 15' ' ' VAL . 13.0 m -56.82 -42.05 78.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.541 174.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.559 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 25.2 m-20 -64.31 -52.08 60.28 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.774 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.15 -33.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.643 ' HA ' HD11 ' B' ' 44' ' ' ILE . 2.9 t -69.41 -56.58 7.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.233 -178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 38' ' ' ASP . 3.5 ppt_? -62.97 -28.02 69.8 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.635 -0.665 . . . . 0.0 112.179 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' ARG . 67.9 mt -72.2 -23.36 61.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 109.854 173.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' B' ' 44' ' ' ILE . . . -69.94 -42.44 73.25 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.192 177.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.729 ' CG2' ' HA ' ' B' ' 40' ' ' CYS . 29.2 pt -70.29 -25.88 28.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -59.19 -46.56 88.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.409 0.624 . . . . 0.0 109.687 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.8 -32.46 69.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.933 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.616 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 73.7 t80 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.234 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 86.8 mt -65.71 -46.92 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.57 -46.4 89.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.975 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -80.66 -27.83 37.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -174.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -89.09 -17.03 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.863 -174.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.13 89.97 3.2 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -84.13 -63.26 1.38 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.153 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.18 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 175.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -97.61 -4.04 38.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.741 -178.032 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -116.77 100.48 53.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.896 0.379 . . . . 0.0 110.151 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.628 ' HD2' ' HA ' ' B' ' 8' ' ' LEU . 8.8 Cg_exo -71.62 -56.43 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.997 2.465 . . . . 0.0 112.068 -177.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -138.84 81.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.519 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 60.66 -91.45 0.03 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.638 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 tp -91.86 59.8 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.916 0.389 . . . . 0.0 110.732 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.628 ' HA ' ' HD2' ' B' ' 4' ' ' PRO . 82.0 mt 58.83 15.08 3.6 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.663 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 63.6 t30 59.73 45.2 13.17 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.618 0.723 . . . . 0.0 109.761 -175.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.29 118.38 0.82 Allowed Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.238 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.954 HG21 ' CD2' ' A' ' 22' ' ' HIS . 35.0 mm -107.19 142.28 20.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.22 117.45 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.146 0.498 . . . . 0.0 110.212 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.772 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -119.89 140.51 50.74 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.665 -178.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.33 115.76 5.23 Favored Glycine 0 N--CA 1.44 -1.076 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.792 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 37' ' ' SER . 20.5 t -105.03 156.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -136.65 123.82 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.704 0.288 . . . . 0.0 111.008 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.515 ' HB ' ' HD2' ' B' ' 18' ' ' PRO . 17.3 pt -147.86 160.92 36.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.46 178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' B' ' 17' ' ' ILE . 9.2 Cg_endo -50.61 147.31 17.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.565 2.843 . . . . 0.0 112.767 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.08 -30.24 68.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.194 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HB3' ' NH2' ' B' ' 24' ' ' ARG . 38.7 mt-10 -54.62 -35.31 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.565 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.614 ' O ' ' HB2' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -80.39 -32.31 37.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' A' ' 13' ' ' LEU . 18.0 m-70 -63.37 -46.95 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.063 174.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.89 -55.28 36.89 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.833 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.573 ' NH2' ' HB3' ' B' ' 20' ' ' GLU . 0.3 OUTLIER -75.07 -35.92 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.778 -175.132 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 3.5 mm? -66.56 -47.5 72.61 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.652 ' O ' ' HG2' ' B' ' 30' ' ' LYS . 71.3 mmm -62.81 -34.19 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -68.73 -41.2 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.503 ' O ' ' HD3' ' B' ' 32' ' ' LYS . 72.1 mt -63.41 -37.29 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.913 0.864 . . . . 0.0 108.749 172.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.19 -21.48 66.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.326 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' B' ' 26' ' ' MET . 35.3 mmtp -75.35 -37.66 60.54 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -61.01 -37.78 83.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.331 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' B' ' 28' ' ' ILE . 13.2 mptt -92.17 -4.28 54.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.861 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.52 39.95 6.46 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.363 0.601 . . . . 0.0 110.568 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.9 mt -133.81 168.74 18.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.892 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.7 p -103.57 163.93 11.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.56 -32.32 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.37 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.621 ' HA ' HG22 ' A' ' 15' ' ' VAL . 18.1 m -57.34 -44.94 84.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.774 174.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.729 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 64.1 m-20 -64.75 -44.96 88.42 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.883 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.59 -32.28 56.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.566 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.729 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -63.67 -61.65 2.17 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.497 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.729 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 4.1 ppt_? -61.69 -34.71 76.23 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 67.8 mt -66.62 -30.84 71.22 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.554 -0.716 . . . . 0.0 110.289 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -71.94 -27.37 62.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.142 175.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 40' ' ' CYS . 17.6 mt -68.1 -40.74 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.64 -33.46 72.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.218 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -72.63 -39.98 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.469 0.652 . . . . 0.0 109.432 174.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -62.28 -45.27 94.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.691 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.64 -49.29 66.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.624 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.01 -31.65 70.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.499 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.28 -27.59 53.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.764 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -90.13 -19.74 23.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.024 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -99.9 119.91 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.742 -172.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -128.76 -70.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 64.51 99.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.198 0.523 . . . . 0.0 111.901 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.26 -22.83 22.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.1 tttp . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.615 -177.385 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -152.88 127.0 4.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . 3.6 Cg_exo -76.5 96.51 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.741 2.294 . . . . 0.0 111.714 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -82.2 -27.74 32.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.282 ' HA ' ' OE1' ' B' ' 19' ' ' GLN . 21.0 pttm -83.64 -9.15 59.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.946 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 4' ' ' PRO . 52.9 tp -95.99 -26.49 15.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 0.0 110.15 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.6 mt -92.52 -32.88 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -82.21 147.41 29.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.06 166.35 35.09 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.403 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG13 ' CE1' ' B' ' 22' ' ' HIS . 39.0 mm -108.08 149.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -100.74 114.72 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.704 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.768 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -110.78 165.82 11.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 -178.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.857 ' HA3' ' HE3' ' B' ' 12' ' ' LYS . . . -134.85 122.67 2.93 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.198 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.711 ' HA ' ' HB3' ' B' ' 37' ' ' SER . 13.8 t -105.56 163.78 4.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 15' ' ' VAL . 7.6 m-85 -128.92 123.76 33.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.833 0.349 . . . . 0.0 110.182 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' B' ' 13' ' ' LEU . 34.2 pt -139.41 148.15 55.41 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.291 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 37.5 Cg_endo -66.45 162.99 34.13 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 123.305 2.67 . . . . 0.0 113.308 -177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -17.79 64.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.536 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.44 -38.24 63.35 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.838 170.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.64 ' HH2' ' O ' ' B' ' 41' ' ' ARG . 12.7 m0 -80.25 -41.24 25.44 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.811 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 26' ' ' MET . 7.1 m-70 -60.51 -55.55 32.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.026 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . 32.2 t70 -60.98 -58.11 9.79 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.146 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 1.8 mpt_? -77.85 -55.91 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 21' ' ' TRP . 39.8 mt -66.59 -40.91 89.11 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.449 -174.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.647 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 79.7 mtp -70.48 -27.0 63.87 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.176 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.88 -43.38 93.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.213 0.53 . . . . 0.0 109.638 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.21 -34.82 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.739 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.38 -26.07 68.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.153 178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 26' ' ' MET . 67.9 mttm -78.18 -36.67 47.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.16 -38.8 90.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.313 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.53 -3.88 54.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.935 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 63.37 43.43 6.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.356 0.598 . . . . 0.0 111.956 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -133.29 165.79 24.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.843 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -107.28 161.71 14.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.346 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 HD13 ' B' ' 13' ' ' LEU . 2.2 pt? -55.95 -42.92 76.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.88 0.309 . . . . 0.0 111.428 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.016 ' HA ' HG22 ' B' ' 15' ' ' VAL . 12.0 m -58.01 -43.8 86.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.706 0.289 . . . . 0.0 110.994 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.594 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 13.0 m-20 -65.01 -48.14 74.98 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.24 -37.27 79.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 t -67.37 -42.78 82.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HG2' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -61.17 -46.79 89.07 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.302 0.641 . . . . 0.0 111.182 173.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 69.1 mt -67.41 -24.24 65.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.29 0.567 . . . . 0.0 109.749 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.36 67.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.097 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.619 ' HB ' ' CZ2' ' B' ' 21' ' ' TRP . 0.0 OUTLIER -66.52 -41.14 88.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.665 -178.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -63.24 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 119.756 -0.778 . . . . 0.0 110.475 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.68 -33.45 72.57 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.483 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 78.2 t80 -64.22 -44.82 90.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD11 ' HE1' ' B' ' 21' ' ' TRP . 84.8 mt -65.27 -47.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.983 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -37.08 78.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.455 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.73 -32.86 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -89.0 -4.83 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.965 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -97.54 -48.49 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -67.6 -47.77 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.955 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 65.37 114.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 1.582 ' HB2' ' CD ' ' B' ' 55' ' ' LYS . 24.1 pttm -84.95 -32.93 22.78 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 168.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.6 tttm . . . . . 0 C--O 1.251 1.183 0 CA-C-N 114.394 -1.275 . . . . 0.0 108.818 179.069 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.244 -0.343 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -170.96 105.21 0.4 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -84.33 106.21 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.443 2.096 . . . . 0.0 112.982 -172.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -81.05 -7.0 59.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -88.12 -31.35 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.58 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 tp -95.48 -23.86 16.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.231 0.539 . . . . 0.0 110.224 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.42 43.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 173.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -152.45 155.14 36.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.67 142.62 8.15 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -177.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 22' ' ' HIS . 12.5 mm -113.41 156.89 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.857 ' HE3' ' HA3' ' A' ' 14' ' ' GLY . 21.4 tptm -99.6 125.68 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 -177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.781 HD13 HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -131.26 139.37 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.423 -177.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.708 ' O ' ' OG ' ' A' ' 37' ' ' SER . . . -103.56 118.98 6.2 Favored Glycine 0 N--CA 1.44 -1.063 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.522 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 1.016 HG22 ' HA ' ' A' ' 37' ' ' SER . 60.8 t -106.0 138.59 30.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.99 124.25 50.05 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -176.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.662 HG22 ' HG2' ' A' ' 41' ' ' ARG . 35.9 pt -141.8 153.33 64.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.347 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.597 ' HD2' ' HE3' ' B' ' 21' ' ' TRP . 75.0 Cg_exo -51.35 148.74 18.54 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.62 2.88 . . . . 0.0 113.493 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 1.282 ' OE1' ' HA ' ' A' ' 6' ' ' LYS . 20.3 pt20 -58.4 -45.07 89.07 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.632 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.596 ' O ' ' HD3' ' B' ' 24' ' ' ARG . 54.4 mm-40 -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.433 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.619 ' CZ2' ' HB ' ' A' ' 44' ' ' ILE . 7.8 t90 -82.87 -37.84 23.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.402 ' CE1' HG13 ' A' ' 11' ' ' ILE . 39.7 t-80 -56.97 -45.72 82.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.254 172.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.29 -51.67 68.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.662 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' B' ' 20' ' ' GLU . 8.6 mpt_? -74.34 -30.74 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.234 -174.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 25' ' ' LEU . 9.2 mt -62.85 -52.16 64.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.929 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' B' ' 29' ' ' ALA . 86.6 mtp -67.38 -25.32 65.9 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.45 -42.8 82.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.149 0.499 . . . . 0.0 109.768 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.78 -33.51 64.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 109.427 173.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.36 -20.54 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.314 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 26' ' ' MET . 51.0 mttm -76.92 -45.63 27.19 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -58.23 -41.41 84.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.347 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.25 -4.21 46.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 59.86 44.48 13.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.623 0.725 . . . . 0.0 110.725 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.627 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 94.1 mt -128.34 171.28 12.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.571 -175.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -101.62 152.55 20.67 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD13 ' A' ' 13' ' ' LEU . 2.6 pt? -59.88 -28.95 67.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.127 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.711 ' HB3' ' HA ' ' A' ' 15' ' ' VAL . 15.6 m -56.94 -45.39 82.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.546 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -64.77 -36.71 85.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.18 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.217 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.8 m -67.01 -49.17 66.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.043 0.449 . . . . 0.0 110.6 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.64 ' O ' ' HH2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -52.96 -47.63 67.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.298 0.639 . . . . 0.0 112.24 171.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' B' ' 41' ' ' ARG . 89.9 mt -66.58 -28.31 68.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.401 0.62 . . . . 0.0 110.183 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.5 -26.7 61.01 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.131 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.58 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 12.7 mt -69.47 -40.71 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -57.95 -40.64 81.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.478 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.24 -40.44 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.087 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.88 -45.47 94.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.73 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.4 mt -64.28 -40.55 96.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.715 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.58 -54.77 38.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.083 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -78.18 -18.77 55.08 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.909 -172.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -87.01 -18.73 29.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.062 0.458 . . . . 0.0 110.674 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.18 -21.96 19.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.368 0.604 . . . . 0.0 109.461 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -88.25 -63.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.579 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 58.0 99.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.625 0.578 . . . . 0.0 111.166 -175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 1.582 ' CD ' ' HB2' ' A' ' 55' ' ' LYS . 25.1 pttm -81.76 9.59 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.867 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.985 -179.683 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.48 78.02 0.36 Allowed Pre-proline 0 N--CA 1.463 0.218 0 CA-C-O 121.138 0.494 . . . . 0.0 110.131 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.98 166.78 23.56 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.021 2.48 . . . . 0.0 112.0 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.18 -11.71 59.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.159 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -90.18 1.52 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.0 mt 58.98 -91.61 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 O-C-N 124.126 0.891 . . . . 0.0 109.863 -172.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -145.91 58.47 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.203 0.525 . . . . 0.0 109.91 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' B' ' 18' ' ' PRO . 5.1 m-20 68.96 20.22 7.92 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.341 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.87 153.99 24.54 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.972 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.845 ' HB ' ' CE1' ' B' ' 22' ' ' HIS . 25.2 mm -128.07 152.42 36.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -101.43 132.4 47.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 111.125 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD13 ' HG ' ' B' ' 36' ' ' LEU . 0.5 OUTLIER -131.88 165.46 23.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.705 -177.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.03 142.36 13.88 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.224 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.638 HG22 ' HB3' ' B' ' 37' ' ' SER . 3.9 t -128.69 165.68 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -173.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' N ' HG12 ' A' ' 15' ' ' VAL . 5.0 m-85 -132.43 135.92 46.4 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 171.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.579 HG13 ' CD2' ' A' ' 22' ' ' HIS . 4.2 pt -154.04 149.98 21.75 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.532 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 21' ' ' TRP . 16.4 Cg_exo -66.89 -178.72 1.39 Allowed 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.413 2.742 . . . . 0.0 114.694 -171.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -56.55 -60.89 2.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.884 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.54 -11.41 10.97 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 5.2 m95 -79.75 -56.53 4.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.697 ' NE2' ' HB ' ' B' ' 11' ' ' ILE . 16.5 m-70 -59.42 -36.37 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.105 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.06 -56.2 25.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.713 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.22 -35.66 58.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD22 HG11 ' A' ' 39' ' ' VAL . 29.9 mt -62.6 -51.87 65.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.802 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.683 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 63.3 mtm -67.31 -28.13 67.74 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.94 -48.51 71.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 109.922 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.85 -35.4 64.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -62.82 -24.08 67.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.64 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HG3' ' O ' ' A' ' 26' ' ' MET . 88.6 mttt -79.4 -41.03 28.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 32' ' ' LYS . 14.4 tp10 -61.91 -56.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.731 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' HD2' ' HG3' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -93.27 -2.17 55.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 t30 64.88 67.54 0.54 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.195 0.998 . . . . 0.0 110.618 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.676 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 67.2 mt -134.27 166.96 21.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.401 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.3 p -104.29 164.25 11.86 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 169.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -58.76 -36.41 74.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.181 0.515 . . . . 0.0 109.722 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.788 ' HA ' HG22 ' B' ' 15' ' ' VAL . 8.0 m -59.14 -39.98 84.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.849 175.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 m-20 -61.77 -42.63 99.24 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.251 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.629 HG11 HD22 ' A' ' 25' ' ' LEU . 50.9 t -62.65 -39.14 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.163 -176.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.611 ' SG ' HD11 ' B' ' 44' ' ' ILE . 14.7 m -68.31 -56.86 7.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.83 0.347 . . . . 0.0 111.286 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.673 ' HB2' ' HZ3' ' B' ' 21' ' ' TRP . 0.6 OUTLIER -58.1 -35.63 71.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 175.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 89.0 mt -71.31 -23.66 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.845 -0.535 . . . . 0.0 110.197 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' CYS . . . -70.54 -46.82 62.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.626 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.769 HG23 ' HA ' ' B' ' 40' ' ' CYS . 2.9 pt -68.83 -25.24 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.486 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.76 -48.67 80.76 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.136 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.57 -25.18 60.25 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 109.697 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' B' ' 43' ' ' ALA . 69.3 t80 -62.78 -47.13 84.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.218 174.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 82.3 mt -67.71 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.449 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.34 -39.78 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.654 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -80.58 -39.65 27.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -94.35 -29.02 15.23 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.892 -173.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 t70 60.76 -76.23 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.841 0.856 . . . . 0.0 112.553 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -141.94 -66.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 55.09 68.83 0.81 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -173.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -54.68 116.29 2.62 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.902 -167.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.602 172.673 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.447 ' HA ' ' HD2' ' B' ' 4' ' ' PRO . 17.1 tpp180 68.06 108.24 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.273 0 C-N-CA 123.359 0.663 . . . . 0.0 111.414 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.492 ' HG2' ' O ' ' B' ' 7' ' ' LEU . 19.4 Cg_endo -60.67 162.93 16.85 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.675 2.25 . . . . 0.0 111.614 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -81.38 -21.09 39.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.445 0.64 . . . . 0.0 109.521 -174.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -92.64 38.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.523 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' B' ' 4' ' ' PRO . 90.0 mt 59.51 -88.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.622 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.3 mt -145.76 47.92 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 66.71 20.59 10.68 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.824 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.0 140.98 6.74 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.697 ' HB ' ' NE2' ' A' ' 22' ' ' HIS . 11.6 mm -122.04 148.33 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.974 0.387 . . . . 0.0 110.01 -173.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.25 126.82 46.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 110.974 -172.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.446 HD23 ' N ' ' B' ' 13' ' ' LEU . 1.1 pt? -133.62 167.24 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.627 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.89 125.19 2.32 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.865 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.788 HG22 ' HA ' ' A' ' 37' ' ' SER . 41.3 t -107.58 145.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -113.83 120.9 42.34 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.71 HD12 ' HE3' ' B' ' 21' ' ' TRP . 30.7 pt -142.43 155.43 64.17 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.116 -175.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 9' ' ' ASN . 65.1 Cg_exo -53.46 150.82 25.7 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.883 3.055 . . . . 0.0 113.587 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' B' ' 20' ' ' GLU . 2.9 pt20 -68.44 -30.1 68.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.779 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 19' ' ' GLN . 25.1 mt-10 -55.67 -34.3 64.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.843 0.83 . . . . 0.0 110.08 174.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.71 ' HE3' HD12 ' B' ' 17' ' ' ILE . 28.0 m0 -75.52 -42.93 51.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.7 -1.137 . . . . 0.0 109.46 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.845 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 33.0 m-70 -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.68 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.84 -51.82 68.01 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 120.93 0.395 . . . . 0.0 111.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.16 -42.16 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.015 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 44' ' ' ILE . 83.4 mt -66.07 -40.13 90.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.135 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.619 ' O ' ' HG3' ' B' ' 30' ' ' LYS . 63.9 mtm -63.02 -37.92 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 -178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -65.69 -42.49 91.17 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.342 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.47 -34.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.552 0.691 . . . . 0.0 109.748 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.03 -28.84 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.465 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 26' ' ' MET . 85.3 mttt -78.8 -33.24 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.23 -46.0 89.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.051 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -95.61 -4.83 43.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 59.12 45.51 14.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.751 0.786 . . . . 0.0 110.063 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.636 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 93.5 mt -133.99 170.89 14.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.269 -175.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 76.6 p -103.04 161.7 13.55 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.918 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.578 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.3 pt? -59.97 -29.08 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 15' ' ' VAL . 15.4 m -57.76 -45.19 86.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.96 171.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.564 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 52.6 m-20 -65.98 -49.74 66.76 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.97 -33.9 57.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.728 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.769 ' HA ' HG23 ' A' ' 44' ' ' ILE . 1.9 t -65.89 -55.24 18.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.397 -178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' B' ' 38' ' ' ASP . 7.0 ppt_? -67.37 -27.51 67.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.2 -33.14 73.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.338 0.59 . . . . 0.0 109.847 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 47' ' ' TYR . . . -73.43 -19.58 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.261 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.611 HD11 ' SG ' ' A' ' 40' ' ' CYS . 64.3 mt -67.56 -40.9 85.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 172.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -57.92 -39.48 78.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.746 174.537 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.58 -43.38 76.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.292 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.23 -38.99 85.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.041 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 44' ' ' ILE . 89.3 mt -67.34 -51.32 53.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.825 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -62.84 -26.77 68.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.42 -36.15 68.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.419 . . . . 0.0 110.348 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -96.52 -3.88 42.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.525 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.62 -88.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.053 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -147.61 -61.09 0.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 70.1 107.23 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.081 0.863 . . . . 0.0 111.508 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -94.13 110.34 22.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 51.6 tttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.721 -174.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.09 68.79 2.33 Favored Pre-proline 0 N--CA 1.463 0.21 0 C-N-CA 122.414 0.286 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.505 ' HG2' HD13 ' A' ' 8' ' ' LEU . 41.5 Cg_exo -57.8 113.19 1.4 Allowed 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.513 2.142 . . . . 0.0 111.89 177.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 67.23 -75.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 124.058 0.849 . . . . 0.0 111.025 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.698 ' HE3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -112.49 -85.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.009 0.433 . . . . 0.0 110.189 174.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 tp -144.83 80.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 HD13 ' HG2' ' A' ' 4' ' ' PRO . 4.0 mm? 61.47 30.73 18.96 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 -178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 6' ' ' LYS . 17.9 m120 -86.44 112.14 21.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.344 0.593 . . . . 0.0 111.296 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.56 116.57 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD1' ' B' ' 16' ' ' TYR . 17.2 mm -108.76 150.77 11.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.404 -169.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.57 ' HE3' ' HA3' ' B' ' 14' ' ' GLY . 53.1 tptt -100.06 116.92 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' LEU . 0.4 OUTLIER -119.98 139.78 51.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.266 -179.027 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.01 120.02 6.52 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.103 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' B' ' 37' ' ' SER . 35.4 t -104.91 157.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.03 118.59 25.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.5 HD11 ' HD2' ' A' ' 22' ' ' HIS . 28.2 pt -130.62 145.73 58.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.696 ' HD2' ' HE3' ' A' ' 21' ' ' TRP . 51.1 Cg_exo -56.09 153.38 32.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.61 2.873 . . . . 0.0 112.08 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.606 ' HG2' ' ND2' ' B' ' 9' ' ' ASN . 3.4 pt20 -74.57 -40.35 61.7 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -169.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CD ' HD22 ' B' ' 9' ' ' ASN . 1.3 pm0 -63.32 -35.57 80.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.502 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.117 ' CH2' ' HG2' ' B' ' 41' ' ' ARG . 26.8 t90 -83.0 -27.05 30.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.959 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' HD2' HD11 ' A' ' 17' ' ' ILE . 53.6 t-80 -63.91 -51.34 64.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.7 172.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.61 -43.22 97.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.074 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -72.73 -36.54 67.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.321 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' TRP . 3.9 mm? -67.69 -31.69 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.542 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 86.1 mtp -64.98 -40.14 94.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.339 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.0 -40.15 87.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.377 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.39 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.322 0.582 . . . . 0.0 109.696 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' O ' ' A' ' 34' ' ' LEU . . . -64.62 -30.39 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.847 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -75.32 -37.0 60.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.403 0.62 . . . . 0.0 109.485 -177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -65.63 -42.72 91.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.322 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -2.6 47.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -173.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m120 66.2 53.19 1.07 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.582 0.706 . . . . 0.0 111.174 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' O ' ' HB1' ' A' ' 29' ' ' ALA . 91.6 mt -134.37 167.67 20.31 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.276 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.0 p -103.95 165.61 10.93 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' B' ' 13' ' ' LEU . 2.1 pt? -56.24 -37.97 70.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.981 0.419 . . . . 0.0 109.975 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.777 ' HA ' HG22 ' B' ' 15' ' ' VAL . 9.6 m -58.33 -44.1 88.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.722 174.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.3 m-20 -63.1 -50.0 72.22 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.89 -35.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.562 0.22 . . . . 0.0 111.117 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.82 ' SG ' ' HB3' ' B' ' 40' ' ' CYS . 3.6 t -68.28 -50.43 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.232 0.539 . . . . 0.0 110.198 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.994 ' HG3' HG22 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -55.53 -47.56 76.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 172.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 38' ' ' ASP . 96.5 mt -68.02 -18.22 64.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.363 . . . . 0.0 110.28 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.569 ' O ' ' HB1' ' B' ' 43' ' ' ALA . . . -70.43 -36.41 73.97 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.595 174.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 20.6 mt -66.75 -40.61 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.19 -41.56 88.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.6 -33.8 71.45 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.669 0.747 . . . . 0.0 109.033 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.98 -48.63 78.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.625 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 44' ' ' ILE . 77.1 mt -68.66 -46.51 68.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.011 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.85 -49.43 75.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.792 -173.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.76 -17.03 54.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.145 -173.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -91.15 -38.72 12.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 109.819 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -93.64 82.65 4.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.15 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -77.66 -56.94 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.784 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.64 -175.53 0.13 Allowed 'General case' 0 C--O 1.237 0.439 0 O-C-N 123.507 0.504 . . . . 0.0 110.742 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp 62.67 43.74 7.2 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 168.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.935 174.767 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 CA-C-O 120.095 -0.28 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 59.9 91.09 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 111.75 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.475 ' HG2' HD13 ' B' ' 8' ' ' LEU . 15.1 Cg_exo -68.56 82.82 0.53 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.82 2.347 . . . . 0.0 111.085 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 18' ' ' PRO . 85.3 m-85 67.76 -71.05 0.11 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.1 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -140.5 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.4 tp -144.94 66.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.765 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.475 HD13 ' HG2' ' B' ' 4' ' ' PRO . 4.1 mm? 59.3 58.71 2.93 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.038 -177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.606 ' ND2' ' HG2' ' A' ' 19' ' ' GLN . 2.9 m-20 -82.93 100.63 10.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.23 104.88 0.23 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.417 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 33.9 mm -104.09 152.94 6.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -99.47 121.07 40.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.889 0.376 . . . . 0.0 110.589 -173.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.593 ' HB3' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -132.97 135.23 45.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.528 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HE3' ' A' ' 12' ' ' LYS . . . -104.56 119.23 6.18 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.336 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 37' ' ' SER . 42.0 t -103.92 152.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' A' ' 11' ' ' ILE . 4.2 m-85 -117.26 119.13 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.781 175.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.994 HG22 ' HG3' ' A' ' 41' ' ' ARG . 17.5 pt -135.23 147.7 63.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.576 ' HB2' ' HG2' ' B' ' 20' ' ' GLU . 17.9 Cg_endo -59.43 160.83 18.77 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.608 2.872 . . . . 0.0 113.145 -176.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -30.32 70.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.028 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.576 ' HG2' ' HB2' ' B' ' 18' ' ' PRO . 4.9 pt-20 -60.78 -26.11 67.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 111.028 175.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.605 ' HE3' HD12 ' B' ' 17' ' ' ILE . 8.2 m0 -78.78 -44.0 24.19 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' B' ' 26' ' ' MET . 14.5 m-70 -59.6 -36.54 76.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.785 0.326 . . . . 0.0 110.398 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -60.64 -60.34 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.48 -47.68 31.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.856 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 21' ' ' TRP . 4.4 mm? -64.22 -52.64 57.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -175.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.569 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 87.0 mtp -66.69 -28.62 68.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.0 -40.88 87.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.232 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.49 -40.22 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.689 . . . . 0.0 109.633 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 34' ' ' LEU . . . -64.34 -25.11 67.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.997 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.33 -40.23 51.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.404 0.621 . . . . 0.0 109.331 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.86 -44.41 93.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.973 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.05 -3.7 55.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.281 -173.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m120 64.39 48.18 2.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.506 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 86.9 mt -124.05 166.19 16.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.876 177.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -104.47 157.74 16.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' H ' HD23 ' B' ' 36' ' ' LEU . 2.4 pt? -59.88 -29.02 68.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.442 . . . . 0.0 109.914 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 15' ' ' VAL . 16.6 m -58.74 -44.66 90.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.658 173.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' B' ' 42' ' ' LEU . 55.4 m-20 -63.62 -42.41 98.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.007 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.27 -39.65 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.0 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.82 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -63.18 -57.98 8.71 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.945 0.402 . . . . 0.0 110.146 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 1.117 ' HG2' ' CH2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.549 0.74 . . . . 0.0 112.169 173.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 38' ' ' ASP . 96.4 mt -64.89 -28.52 69.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.117 0.484 . . . . 0.0 110.571 -175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 43' ' ' ALA . . . -73.73 -23.9 59.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.125 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.715 ' HB ' ' HZ2' ' A' ' 21' ' ' TRP . 22.5 mt -70.53 -34.02 55.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -59.8 -41.78 91.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.975 173.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' B' ' 50' ' ' ASN . 5.2 tp10 -67.42 -34.93 78.25 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.97 -41.97 93.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.655 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.71 -58.62 3.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.64 -29.84 68.31 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 46' ' ' GLU . 17.2 t-20 -80.56 -32.82 36.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.804 0.335 . . . . 0.0 111.234 -176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.76 -10.87 35.43 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.225 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -139.61 96.32 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 109.747 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -46.8 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.422 -172.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 59.54 -161.76 0.26 Allowed 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.599 0.562 . . . . 0.0 111.249 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 73.31 66.27 0.1 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.036 -0.983 . . . . 0.0 112.051 169.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.141 173.048 . . . . . . . . 0 0 . 1 stop_ save_