data_1otr_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 1otr _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.529 0.204 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.432 ' CE1' HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -76.9 -24.5 52.52 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.401 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.9 mp0 -51.2 -40.7 59.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' HG12 ' A' ' 15' ' ' ILE . 60.4 m -59.39 -46.29 89.1 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.709 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.7 -38.77 82.5 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.389 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -60.59 -44.77 95.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG23 HD13 ' B' ' 8' ' ' LEU . 19.4 mm -55.86 -40.95 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.237 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD13 ' HE1' ' A' ' 31' ' ' HIS . 94.1 mt -62.61 -44.27 96.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.1 mtt -54.71 -49.96 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.12 -31.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.838 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.684 ' SD ' HG22 ' B' ' 44' ' ' ILE . 63.2 tpp -62.56 -38.56 90.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.87 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CG ' HD13 ' A' ' 23' ' ' ILE . 11.2 m-85 -127.52 98.46 28.74 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.35 50.25 3.3 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.607 2.205 . . . . 0.0 112.53 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -163.53 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.474 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.626 HG22 ' HD2' ' A' ' 27' ' ' LYS . 65.2 mt -61.41 131.59 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -66.17 142.76 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.629 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -53.35 -35.25 60.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' HG21 ' A' ' 30' ' ' VAL . 65.7 m -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.626 ' HD2' HG22 ' A' ' 23' ' ' ILE . 24.6 ttmm -62.87 -44.34 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.761 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 95.0 mt -57.0 -44.38 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.1 tt0 -65.54 -43.31 90.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.24 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 26' ' ' SER . 92.6 t -60.67 -56.55 17.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.761 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.7 p80 -61.4 -42.91 99.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 37' ' ' ASN . 47.7 tp -57.07 -47.7 80.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.393 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -61.39 -48.64 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.692 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.19 -45.5 91.46 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.74 33.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 47.41 41.8 13.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.737 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.727 ' HA ' HD12 ' A' ' 32' ' ' LEU . 74.2 m-20 55.71 38.94 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.681 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -93.21 131.02 38.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.734 0.302 . . . . 0.0 110.831 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' B' ' 8' ' ' LEU . 87.6 mt -95.95 -43.92 7.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.86 -51.01 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' LEU . 57.4 tp -70.4 -54.75 11.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 111.797 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 31' ' ' HIS . 86.1 m -54.39 -56.04 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.329 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.6 mt -60.48 -41.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.852 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.05 44.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.005 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 62.5 tp -69.87 -38.52 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 110.714 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.5 mt -61.84 -34.67 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.555 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.639 HD21 HG12 ' B' ' 44' ' ' ILE . 91.4 mt -56.76 -50.8 71.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.423 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.597 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.1 -35.21 79.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.562 -179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 57.4 mm-40 . . . . . 0 N--CA 1.463 0.183 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.339 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.498 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 4.4 pm0 -152.61 142.57 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 pt -118.06 138.94 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.418 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -78.86 145.89 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.98 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.5 HG13 HD12 ' B' ' 30' ' ' ILE . 59.4 t -126.35 84.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.681 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 61.1 tttm -77.84 133.11 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.202 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.2 p -92.2 151.75 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.567 HD13 HG23 ' A' ' 15' ' ' ILE . 19.0 tp -52.56 -36.36 55.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -70.15 -61.48 1.76 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.748 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.8 63.03 0.01 OUTLIER Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.346 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -157.08 123.59 4.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -105.38 137.11 43.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.535 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.846 HG22 HD21 ' B' ' 15' ' ' LEU . 70.8 mt -122.0 129.05 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.8 m -88.19 123.04 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.719 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.846 HD21 HG22 ' B' ' 13' ' ' ILE . 3.0 mm? -124.17 124.54 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.583 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.579 ' O ' HG12 ' B' ' 17' ' ' VAL . 44.5 tt0 -75.6 128.03 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.579 HG12 ' O ' ' B' ' 16' ' ' GLU . 35.3 m -147.63 138.86 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.12 0.486 . . . . 0.0 111.749 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -70.45 148.38 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.039 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.401 ' HA ' HD11 ' B' ' 56' ' ' LEU . 80.6 p -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -105.26 36.03 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' B' ' 22' ' ' THR . 53.9 t0 -83.06 -126.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.454 HG21 ' HB2' ' B' ' 25' ' ' ASN . 5.4 t -169.49 140.55 2.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.633 HG23 ' HZ3' ' B' ' 27' ' ' LYS . 35.4 mm -56.66 -40.95 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.496 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 8.5 t70 -53.82 -42.37 68.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.454 ' HB2' HG21 ' B' ' 22' ' ' THR . 0.7 OUTLIER -58.15 -43.03 87.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.949 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.503 ' O ' HG13 ' B' ' 30' ' ' ILE . 52.5 t -58.46 -45.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.633 ' HZ3' HG23 ' B' ' 23' ' ' ILE . 64.0 mttp -59.16 -42.05 89.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.475 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -46.33 89.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.093 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 26' ' ' VAL . 76.1 mt -57.53 -40.89 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 109.804 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -62.82 -39.14 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.64 -43.8 97.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.305 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.638 ' NZ ' HD13 ' B' ' 15' ' ' LEU . 98.7 mttt -69.66 -63.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE2' HD11 ' B' ' 13' ' ' ILE . 63.9 mm-40 -73.25 -45.83 53.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.9 30.2 9.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.617 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' B' ' 71' ' ' LEU . 49.2 mm -101.06 135.0 20.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 46.7 Cg_exo -55.95 136.31 74.14 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.295 1.997 . . . . 0.0 111.864 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.26 -42.01 60.78 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.614 2.21 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -60.14 -43.99 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.68 -52.93 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.448 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.7 pt20 -68.87 135.78 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 111.338 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 39.1 mmt180 -110.34 109.53 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.447 HD23 ' HE3' ' B' ' 27' ' ' LYS . 2.9 mm? -81.88 82.69 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.684 HG22 ' SD ' ' A' ' 19' ' ' MET . 74.8 mt -84.31 143.84 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.642 ' HE2' HG12 ' B' ' 61' ' ' ILE . 18.9 t80 -166.5 141.65 4.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.0 33.7 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.209 0.528 . . . . 0.0 110.275 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.57 71.76 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.598 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.617 ' HA ' HD23 ' A' ' 47' ' ' LEU . 6.6 ttpm? -173.19 138.94 0.76 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.073 0.436 . . . . 0.0 111.738 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 53.8 tt0 -59.28 129.56 42.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.559 HD11 HD13 ' B' ' 23' ' ' ILE . 61.6 mt -71.05 134.18 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.574 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.1 mt-10 -66.88 135.15 53.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -66.85 138.6 57.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.496 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 73.97 45.09 27.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.974 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.574 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 45.9 mmm-85 -131.2 130.78 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 110.977 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -67.88 144.27 55.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.629 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' B' ' 19' ' ' SER . 87.4 mt -54.99 -32.5 61.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.45 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.3 p -52.17 -43.66 64.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.99 -53.81 54.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.579 0.228 . . . . 0.0 111.547 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.507 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 59.1 m-85 -77.37 -9.5 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 111.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.53 39.02 25.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.773 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.642 HG12 ' HE2' ' B' ' 45' ' ' PHE . 74.1 mt -68.04 125.78 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -76.75 -154.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -102.75 144.21 31.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.677 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.28 36.76 20.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.799 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.414 ' OG ' HG22 ' B' ' 61' ' ' ILE . 61.5 m -68.38 135.23 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.607 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.4 m -87.8 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.461 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.538 ' N ' HD13 ' B' ' 67' ' ' LEU . 7.2 mp -85.87 128.67 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.289 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 43.7 m170 -86.98 144.2 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 111.86 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.5 tt -126.98 120.77 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.746 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' B' ' 8' ' ' LEU . 95.4 t -117.02 122.13 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' B' ' 36' ' ' ILE . 93.3 mt -73.62 133.06 43.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.87 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.846 0.355 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.71 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 94.5 mt-10 -51.06 -40.56 58.6 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -59.98 -46.03 90.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 59.5 mttp -60.94 -38.86 87.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.637 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.36 -41.88 85.73 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.355 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 17' ' ' MET . 48.2 t -58.61 -43.72 89.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.126 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' B' ' 8' ' ' LEU . 19.4 mm -58.19 -39.23 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.011 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 28' ' ' LEU . 80.1 mt -60.01 -50.59 73.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.218 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.403 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 78.5 mtm -56.36 -45.74 80.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.66 -33.37 72.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.854 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.595 ' SD ' HG21 ' B' ' 44' ' ' ILE . 62.2 tpp -64.21 -36.44 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.573 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CZ ' HG22 ' A' ' 43' ' ' ILE . 7.7 m-85 -128.98 108.06 18.16 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.12 54.86 5.41 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.654 2.236 . . . . 0.0 113.046 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.37 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.612 HG22 HD23 ' A' ' 28' ' ' LEU . 53.7 mt -61.86 133.63 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.516 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -69.72 147.25 50.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -54.52 -39.74 67.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -58.65 -49.51 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.214 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.1 tttp -59.91 -47.36 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD23 HG22 ' A' ' 23' ' ' ILE . 96.5 mt -58.43 -41.12 84.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp60 -59.65 -44.06 93.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 97.5 t -60.0 -47.67 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HE2' ' HE3' ' A' ' 27' ' ' LYS . 89.7 m-70 -60.49 -43.99 96.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -61.98 -44.51 96.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.199 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.1 mm-40 -61.29 -49.14 78.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -83.72 27.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.045 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 64.57 -72.96 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.989 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -162.09 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -39.27 123.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.11 0.481 . . . . 0.0 111.751 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.591 HD11 HD21 ' B' ' 8' ' ' LEU . 81.7 mt -85.22 -42.23 14.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.355 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.531 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 8.1 t70 -59.36 -41.64 89.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.139 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.21 -56.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.517 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.494 ' O ' HD22 ' A' ' 46' ' ' LEU . 92.0 m -57.1 -64.38 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 62.1 mt -55.56 -38.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.801 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.09 -47.96 53.64 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.674 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.5 tp -67.12 -38.32 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD22 ' O ' ' A' ' 42' ' ' THR . 4.2 mm? -55.72 -45.12 77.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' B' ' 49' ' ' GLN . 52.3 mt -54.13 -50.68 66.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.252 0.549 . . . . 0.0 109.819 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -80.83 43.0 0.66 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.699 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.884 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.863 0.364 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.01 149.86 25.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.7 pt -136.77 133.97 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -92.34 148.09 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.384 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.901 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.2 t -131.89 78.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.108 0.48 . . . . 0.0 110.531 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 85.9 tttt -65.28 124.41 22.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.373 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.485 HG21 ' HZ1' ' B' ' 11' ' ' LYS . 75.6 p -88.54 152.68 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.969 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.591 HD21 HD11 ' A' ' 39' ' ' LEU . 95.3 mt -51.3 -35.28 37.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -62.92 -59.72 4.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.575 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.02 57.53 0.01 OUTLIER Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.262 -0.97 . . . . 0.0 113.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.657 ' NZ ' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -161.76 123.14 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 111.128 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 79.0 p -88.76 132.45 34.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.345 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.901 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 74.3 mt -98.41 123.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -90.48 133.97 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.471 ' O ' HG12 ' B' ' 3' ' ' ILE . 81.2 mt -149.39 141.34 23.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.435 ' O ' HG11 ' B' ' 17' ' ' VAL . 88.7 tt0 -95.32 127.38 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.268 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.435 HG11 ' O ' ' B' ' 16' ' ' GLU . 27.5 m -153.77 142.95 14.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.675 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 4.6 mm-40 -66.42 146.44 54.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.807 ' HA ' HD12 ' B' ' 56' ' ' LEU . 79.2 p -62.01 -34.43 76.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -95.87 29.95 2.54 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -84.29 -123.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.453 ' OG1' ' HA2' ' B' ' 53' ' ' GLY . 7.0 t -171.72 141.35 1.42 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.0 111.036 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.8 mm -53.84 -40.66 45.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.28 -46.07 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -41.83 96.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 30' ' ' ILE . 86.1 t -58.03 -49.74 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.526 ' HZ3' HG22 ' B' ' 23' ' ' ILE . 61.4 mttp -59.22 -39.67 83.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.567 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -59.5 -44.9 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.361 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.35 -40.83 96.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.43 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 26' ' ' VAL . 91.5 mt -62.46 -38.99 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.659 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.42 -46.27 80.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.518 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.89 -45.92 73.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.864 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -67.88 -61.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.21 -37.54 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.791 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.84 47.84 5.16 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.66 133.72 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.498 0.19 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.2 Cg_endo -55.86 137.21 78.04 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.549 2.166 . . . . 0.0 112.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.76 -33.3 96.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.735 2.29 . . . . 0.0 112.394 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -57.25 -46.15 83.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -70.62 -56.89 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.422 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.1 pt20 -67.14 141.58 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.243 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -138.76 120.78 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 8.5 mp -82.28 137.62 34.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.595 HG21 ' SD ' ' A' ' 19' ' ' MET . 79.4 mt -130.27 142.61 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.143 0.496 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.48 140.06 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.569 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 32.91 22.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.91 26.67 74.49 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.66 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -157.34 141.22 16.01 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.006 0.403 . . . . 0.0 111.576 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.572 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.2 pm0 -61.18 136.34 58.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.481 ' HB3' HG23 ' B' ' 23' ' ' ILE . 88.9 mt -64.22 129.76 41.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.547 ' HG3' ' HH ' ' B' ' 59' ' ' TYR . 49.8 mt-10 -74.28 132.32 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.85 137.67 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.453 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 72.41 46.89 31.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.564 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.562 ' O ' HG12 ' B' ' 23' ' ' ILE . 50.8 mmt-85 -138.49 133.54 32.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -63.31 148.72 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.4 mt -54.53 -37.05 64.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.2 t -54.81 -26.91 38.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.585 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.32 -57.26 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.419 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.547 ' HH ' ' HG3' ' B' ' 51' ' ' GLU . 13.2 m-85 -85.74 31.91 0.6 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.44 35.82 11.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.422 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.473 HG21 ' OG ' ' B' ' 65' ' ' SER . 72.1 mt -72.55 121.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -89.64 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -179.93 140.74 0.14 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 61.02 41.27 14.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.473 ' OG ' HG21 ' B' ' 61' ' ' ILE . 60.0 m -74.25 139.37 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 71.3 m -85.72 88.9 7.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.204 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 75.6 mt -86.09 134.5 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 13.7 m-70 -94.72 133.01 38.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.5 tt -107.79 135.23 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.606 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.463 HG11 HD13 ' B' ' 8' ' ' LEU . 99.2 t -135.11 125.8 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.07 141.85 35.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.531 ' HA ' ' OD2' ' A' ' 40' ' ' ASP . 71.4 ttt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.369 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -73.38 -23.64 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 68.8 mm-40 -49.9 -39.09 38.62 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.509 ' O ' HD11 ' A' ' 15' ' ' ILE . 91.8 p -61.11 -49.7 76.22 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HD2' ' OG ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -58.6 -37.55 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.561 178.333 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.35 -40.22 93.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.969 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -59.84 -49.66 76.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.593 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.643 HG13 ' HZ1' ' B' ' 6' ' ' LYS . 1.8 mp -58.81 -37.93 69.42 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.746 HD13 ' HE1' ' A' ' 31' ' ' HIS . 86.7 mt -60.66 -44.7 96.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.787 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.5 mtp -57.98 -50.8 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.65 -29.34 65.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.588 ' SD ' HG23 ' B' ' 44' ' ' ILE . 63.5 tpp -63.97 -41.12 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.032 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -123.1 97.48 43.31 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.54 51.11 3.18 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.055 2.503 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.74 -39.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.458 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.751 HG21 ' HD3' ' A' ' 27' ' ' LYS . 70.0 mt -62.01 132.31 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -64.2 140.77 58.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.513 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -50.85 -37.16 41.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -59.19 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.751 ' HD3' HG21 ' A' ' 23' ' ' ILE . 62.0 tttp -58.95 -43.31 91.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.999 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.774 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -57.79 -47.3 82.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.02 -40.13 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.669 0.271 . . . . 0.0 111.197 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 26' ' ' SER . 85.7 t -61.77 -57.98 9.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.774 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 7.1 p80 -60.15 -41.84 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.109 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 37' ' ' ASN . 40.8 tp -58.0 -47.05 84.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.29 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.84 -46.22 90.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.451 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.31 -43.75 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.286 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.8 m120 -81.23 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 44.79 36.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 32' ' ' LEU . 74.5 m-20 54.54 45.01 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.01 129.79 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.872 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD11 HD11 ' B' ' 8' ' ' LEU . 75.7 mt -83.67 -54.0 5.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.886 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 62.8 t0 -57.5 -47.47 81.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 45' ' ' LEU . 6.9 tt -65.11 -64.05 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.073 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.583 HG22 ' ND1' ' A' ' 31' ' ' HIS . 86.5 m -52.14 -63.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.402 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.603 HG21 HD13 ' B' ' 44' ' ' ILE . 69.9 mt -52.18 -36.72 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.98 59.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.086 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 41' ' ' LEU . 10.0 mp -66.9 -40.23 87.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.607 0.241 . . . . 0.0 110.538 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 42' ' ' THR . 4.0 mm? -55.54 -42.62 74.86 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' B' ' 48' ' ' LYS . 34.5 mt -55.37 -39.0 69.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.017 0.437 . . . . 0.0 110.19 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.93 39.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.297 179.836 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.919 0.39 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.497 ' HB2' ' OE2' ' B' ' 64' ' ' GLU . 13.4 mp0 -69.04 148.89 49.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.797 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.443 HG12 ' O ' ' B' ' 15' ' ' LEU . 35.3 pt -135.45 132.18 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.256 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.535 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.6 m-85 -79.09 143.22 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.4 t -130.77 78.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.643 ' HZ1' HG13 ' A' ' 15' ' ' ILE . 55.2 tttm -75.5 127.7 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.406 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 81.7 p -86.89 144.82 26.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.046 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.789 ' HB2' ' HA ' ' B' ' 70' ' ' VAL . 29.1 tp -52.84 -36.92 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -66.46 -60.49 2.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.68 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.64 63.07 0.01 OUTLIER Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.406 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 87.2 tttt -164.68 116.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.96 0.38 . . . . 0.0 111.125 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.0 m -99.51 139.72 34.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.555 HG23 HD23 ' B' ' 15' ' ' LEU . 54.1 mt -133.61 126.67 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' B' ' 2' ' ' GLN . 89.2 m -99.16 130.12 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.679 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.555 HD23 HG23 ' B' ' 13' ' ' ILE . 2.4 mm? -133.83 139.71 46.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.506 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 87.8 tt0 -76.97 134.36 38.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.448 ' HB ' ' OD2' ' B' ' 21' ' ' ASP . 30.4 m -147.79 137.76 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.901 0.381 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' B' ' 20' ' ' SER . 43.7 tt0 -66.69 146.7 54.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.745 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -55.02 -40.49 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.932 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.475 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 78.1 p -92.39 36.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.386 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' HB ' ' B' ' 17' ' ' VAL . 57.1 p-10 -80.52 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.765 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.458 HG21 ' HB2' ' B' ' 25' ' ' ASN . 6.3 t -175.94 143.7 0.58 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 50' ' ' LEU . 50.7 mm -50.63 -42.94 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.28 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.35 -42.99 78.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.458 ' HB2' HG21 ' B' ' 22' ' ' THR . 0.7 OUTLIER -59.36 -44.72 92.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.454 ' O ' HG13 ' B' ' 30' ' ' ILE . 51.4 t -56.57 -39.84 65.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.854 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 34.8 mmtp -59.55 -47.35 85.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.972 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t -55.82 -44.33 77.79 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' B' ' 15' ' ' LEU . 28.3 mtpp -60.24 -43.93 95.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.8 mt -58.45 -40.46 78.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.34 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 9.2 mm100 -60.41 -49.55 77.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.36 0.6 . . . . 0.0 109.934 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.98 -29.91 67.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.183 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' B' ' 13' ' ' ILE . 26.4 tptp -79.01 -40.1 32.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.542 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.4 -32.19 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.52 51.06 5.38 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' B' ' 41' ' ' GLN . 66.2 mt -88.28 134.18 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.485 0.183 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 56.4 Cg_exo -51.44 138.89 47.05 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.316 2.011 . . . . 0.0 111.799 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.1 -47.52 19.86 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.473 2.116 . . . . 0.0 112.597 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.18 -40.45 94.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.4 tp60 -58.64 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.359 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.568 ' HB2' HD12 ' B' ' 69' ' ' LEU . 25.6 pt20 -74.74 146.28 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.445 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.711 ' HB3' HG21 ' B' ' 70' ' ' VAL . 14.2 tpp85 -144.98 119.96 10.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 50.4 mt -85.78 119.23 25.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 112.294 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.603 HD13 HG21 ' A' ' 43' ' ' ILE . 89.5 mt -115.42 143.38 25.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.485 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' B' ' 47' ' ' GLY . 30.7 t80 -165.45 145.77 6.91 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.43 -34.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 165.18 -15.05 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.708 ' HA ' HD22 ' A' ' 47' ' ' LEU . 63.1 pttt -159.28 170.71 21.28 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.066 0.46 . . . . 0.0 112.002 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 6.9 tt0 -52.25 135.8 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.181 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.745 HD11 HD11 ' B' ' 61' ' ' ILE . 75.2 mt -82.87 35.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.322 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' HG3' ' B' ' 54' ' ' ARG . 55.6 mt-10 51.16 -167.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 111.31 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.28 42.35 2.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.233 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.31 54.14 0.05 OUTLIER Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.423 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.6 mmm180 -148.05 135.14 20.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.14 0.495 . . . . 0.0 111.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.446 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 40.9 p -65.46 141.86 58.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.605 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.528 HD23 HD13 ' B' ' 61' ' ' ILE . 71.7 mt -49.72 -24.51 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -56.87 -46.73 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 55' ' ' THR . 2.9 p-10 -59.62 -50.57 73.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.288 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.404 ' CE1' HD22 ' B' ' 50' ' ' LEU . 90.0 m-85 -70.39 -16.93 63.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.637 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.93 40.58 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.317 0.579 . . . . 0.0 109.766 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.745 HD11 HD11 ' B' ' 50' ' ' LEU . 70.3 mt -67.49 125.24 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.466 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -75.97 155.71 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.777 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -62.53 147.17 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.742 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.497 ' OE2' ' HB2' ' B' ' 2' ' ' GLN . 43.3 mm-40 62.57 35.1 14.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.984 0.421 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -77.81 139.74 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.257 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 87.1 m -91.25 96.83 10.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.613 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -87.5 134.31 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.487 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 44.7 m170 -90.64 140.17 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' B' ' 41' ' ' GLN . 47.4 tp -121.44 83.29 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.789 ' HA ' ' HB2' ' B' ' 8' ' ' LEU . 19.3 m -71.47 133.66 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.51 134.56 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 50.5 ttt-85 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -67.67 -24.61 65.44 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 11.4 pt-20 -51.45 -35.6 40.32 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.793 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' SER . 39.1 t -59.73 -44.6 93.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.01 -43.58 98.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.82 -37.66 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.412 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -61.65 -43.89 98.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.451 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 19' ' ' MET . 22.2 mm -56.33 -44.5 79.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.623 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 28' ' ' LEU . 95.3 mt -59.18 -45.44 91.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.352 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.424 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 86.1 mtp -56.17 -52.84 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.188 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.516 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 61.4 t0 -73.26 -30.22 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.511 ' HE2' ' HB3' ' B' ' 68' ' ' HIS . 54.6 tpp -59.88 -37.45 79.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -128.82 106.58 18.45 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.91 51.62 3.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.937 2.425 . . . . 0.0 112.69 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.93 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 23' ' ' ILE . 70.7 mt -66.3 132.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.144 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -57.71 138.83 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.228 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.38 -30.57 60.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.4 t -54.15 -48.04 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.442 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.62 -51.03 64.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.688 0.28 . . . . 0.0 111.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 16' ' ' LEU . 87.6 mt -49.54 -42.14 43.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.101 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.44 -44.01 72.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 26' ' ' SER . 75.2 t -62.88 -53.64 44.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.475 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -58.5 -43.68 89.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 37' ' ' ASN . 57.2 tp -58.45 -50.63 73.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.268 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.82 -45.59 93.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 67.0 mm-40 -63.17 -48.78 76.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.64 37.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.34 48.65 18.8 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 111.115 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 32' ' ' LEU . 11.0 p-10 42.06 41.3 1.94 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.038 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -95.18 128.26 41.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.54 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 HD11 HD11 ' B' ' 8' ' ' LEU . 85.2 mt -77.89 -49.63 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.507 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.16 -44.38 92.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 41' ' ' LEU . 3.4 tt -67.73 -59.41 3.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 110.968 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.542 ' O ' HD22 ' A' ' 46' ' ' LEU . 86.4 m -56.39 -63.34 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.329 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.0 mt -56.0 -38.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.31 -47.55 61.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.051 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 45' ' ' LEU . 3.3 tm? -69.45 -38.95 78.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD22 ' O ' ' A' ' 42' ' ' THR . 4.3 mm? -55.3 -45.51 76.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.86 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.626 HD21 HD12 ' B' ' 44' ' ' ILE . 74.4 mt -56.6 -35.39 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.095 0.474 . . . . 0.0 110.295 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.08 -31.96 72.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.812 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 . . . . . 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.72 -179.132 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.922 0.391 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.616 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -71.94 146.54 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.057 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.55 HD13 HG21 ' B' ' 17' ' ' VAL . 38.1 pt -130.74 136.6 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -88.04 146.8 25.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.468 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 57.9 t -146.41 77.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.289 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.705 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 85.0 tttt -71.73 135.31 46.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -82.11 142.05 32.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.545 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.668 HD23 HG23 ' B' ' 70' ' ' VAL . 78.5 mt -42.6 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.783 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p 48.37 66.35 1.09 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.971 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.46 -67.9 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.611 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -172.88 139.28 0.85 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.201 0.501 . . . . 0.0 111.542 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.2 p -81.44 124.21 29.24 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.127 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.453 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 35.5 mm -94.18 136.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.329 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.544 ' C ' HD21 ' B' ' 15' ' ' LEU . 89.7 m -115.65 128.43 55.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.768 0.318 . . . . 0.0 111.847 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.566 HD21 ' N ' ' B' ' 15' ' ' LEU . 2.9 mm? -130.81 140.87 50.31 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.475 ' O ' HG11 ' B' ' 17' ' ' VAL . 5.5 tp10 -86.07 123.46 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.55 HG21 HD13 ' B' ' 3' ' ' ILE . 22.0 m -150.37 134.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.136 0.493 . . . . 0.0 111.563 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' B' ' 20' ' ' SER . 88.2 tt0 -67.84 152.2 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -77.35 43.54 0.39 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.042 0.449 . . . . 0.0 110.44 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 18' ' ' GLU . 40.4 t -168.58 49.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.499 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 8.1 t70 -139.66 141.97 37.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.871 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -69.39 145.94 52.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.523 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.67 -41.91 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.55 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -51.17 -44.07 61.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.577 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 50.1 t30 -55.58 -44.75 77.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.02 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.97 -40.09 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.363 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.541 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -58.46 -42.27 87.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.511 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -64.42 -45.23 88.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.932 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.537 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.4 mttm -59.44 -47.36 85.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.59 -39.71 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.21 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.07 -40.95 78.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.406 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.37 -68.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.955 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.55 -39.38 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.858 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.55 13.6 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.12 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -94.97 133.74 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.417 0.151 . . . . 0.0 110.78 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.97 137.12 68.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.063 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.63 -42.3 66.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.651 2.234 . . . . 0.0 112.549 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.62 -42.87 81.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.74 -48.89 75.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.682 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.2 136.39 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 111.274 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.534 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 72.0 mtp180 -134.86 81.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.541 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 5.8 mp -69.55 86.6 0.46 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.368 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 47' ' ' LEU . 68.2 mt -82.13 141.25 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.177 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.62 ' HE2' HG12 ' B' ' 61' ' ' ILE . 22.6 t80 -161.75 140.32 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.594 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.41 31.74 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.214 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 16.45 76.71 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 113.894 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -173.27 144.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.564 0.682 . . . . 0.0 112.238 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 64.4 mt-30 -54.97 133.11 48.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.537 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.585 HD13 HD21 ' B' ' 67' ' ' LEU . 77.4 mt -68.39 130.1 41.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 50.9 mt-10 -60.73 137.9 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.409 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 15.4 m-20 -79.94 50.35 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.523 ' O ' HG12 ' B' ' 23' ' ' ILE . 73.0 mtt-85 -152.4 134.68 15.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -67.6 148.67 51.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.081 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -50.7 -33.26 22.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.999 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -56.69 -39.28 73.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.543 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.335 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.514 ' HB2' HG13 ' B' ' 61' ' ' ILE . 23.6 m-85 -75.99 -10.4 59.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.709 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 60.47 40.94 16.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.62 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.4 mt -64.07 125.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.397 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.3 146.47 30.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -51.44 141.27 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.527 ' HG2' ' HG2' ' B' ' 2' ' ' GLN . 56.0 mt-10 61.96 40.01 12.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.03 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.5 ' HG ' HD13 ' B' ' 67' ' ' LEU . 40.5 t -70.89 137.48 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -84.83 86.14 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.585 HD21 HD13 ' B' ' 50' ' ' LEU . 7.3 mp -85.9 139.51 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.538 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.516 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 40.9 m170 -95.49 141.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.34 119.83 33.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.487 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.668 HG23 HD23 ' B' ' 8' ' ' LEU . 84.8 t -113.78 125.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.519 HD11 ' N ' ' B' ' 71' ' ' LEU . 5.5 mp -98.45 130.22 45.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.638 0.256 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -61.45 -25.48 67.26 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 50.4 mt-10 -52.04 -37.25 52.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.317 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -58.52 -51.46 69.79 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HE2' HD21 ' A' ' 37' ' ' ASN . 59.2 mttp -59.62 -37.62 79.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.318 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 17' ' ' MET . 60.0 tp -60.65 -39.89 89.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.836 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -61.17 -45.3 95.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.795 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.693 HG23 HD23 ' B' ' 8' ' ' LEU . 1.8 mp -57.85 -42.76 82.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.588 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.27 -45.29 93.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.587 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 63.3 mtm -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 0.0 111.223 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.1 -40.51 86.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.636 ' HE3' HD21 ' B' ' 8' ' ' LEU . 54.5 ttm -63.55 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.001 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.513 ' HZ ' HG21 ' A' ' 43' ' ' ILE . 30.3 m-85 -124.48 71.36 57.13 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.068 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.23 -40.7 69.05 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.386 2.057 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.31 84.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.516 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.94 133.34 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 111.4 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -66.55 140.42 57.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -58.48 -29.96 66.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.347 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -55.18 -48.61 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' NZ ' ' HE2' ' A' ' 31' ' ' HIS . 61.7 tttm -62.86 -49.47 74.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.27 -38.17 73.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.819 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.94 -43.03 94.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.397 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.1 -47.68 86.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 90.9 m-70 -62.68 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 34.7 tp -62.49 -45.34 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.24 -48.24 79.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -60.84 -49.53 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -83.95 28.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 36' ' ' ASN . 2.7 m120 65.41 -71.0 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.536 HD21 ' HE2' ' A' ' 12' ' ' LYS . 16.3 p-10 -177.09 32.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.184 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.77 134.15 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.96 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.46 -49.25 4.29 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -56.08 -50.08 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.69 -57.06 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 HG21 HD21 ' A' ' 46' ' ' LEU . 86.0 m -54.41 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.513 HG21 ' HZ ' ' A' ' 20' ' ' PHE . 71.1 mt -53.81 -38.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.87 -46.59 60.36 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.488 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 tp -70.41 -37.32 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.8 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.6 mm? -59.03 -43.81 91.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.297 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.744 HD22 HD12 ' B' ' 44' ' ' ILE . 86.5 mt -52.86 -49.52 65.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -81.47 40.78 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.727 ' HA ' ' HZ1' ' B' ' 63' ' ' LYS . 27.4 ttt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 3.6 pm0 -151.14 151.51 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.741 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.446 HD12 ' HB2' ' B' ' 15' ' ' LEU . 0.2 OUTLIER -124.97 133.98 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.414 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' B' ' 66' ' ' THR . 3.0 m-85 -78.33 99.92 6.54 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.454 HG23 HD23 ' B' ' 15' ' ' LEU . 52.5 t -78.01 82.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.752 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.625 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 62.8 tttp -80.04 132.71 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.754 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -96.88 147.54 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.928 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -49.02 -32.65 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.707 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.5 m -62.93 -53.96 45.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.33 -38.37 0.41 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.07 135.52 31.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.946 0.403 . . . . 0.0 112.013 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.7 p -118.81 87.42 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.636 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.448 HG21 HD21 ' B' ' 15' ' ' LEU . 56.0 mt -76.04 116.88 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.187 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.7 m -84.14 128.53 34.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 5' ' ' VAL . 4.5 mm? -117.98 142.47 47.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.234 0.54 . . . . 0.0 111.055 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 41.6 tt0 -84.75 124.56 31.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.795 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.801 HG12 HD12 ' B' ' 56' ' ' LEU . 2.9 p -164.1 132.8 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.412 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' B' ' 20' ' ' SER . 30.3 mt-10 -87.0 147.64 25.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.899 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.64 ' HA ' HD11 ' B' ' 56' ' ' LEU . 41.3 t -76.62 30.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 18' ' ' GLU . 79.8 p -124.98 -29.21 3.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -61.2 -113.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -170.12 146.32 2.98 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.272 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.44 -40.12 23.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -55.51 -42.24 74.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.443 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 20.0 t-20 -62.11 -41.41 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.588 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' B' ' 30' ' ' ILE . 39.5 t -56.7 -49.16 79.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.004 0.431 . . . . 0.0 110.225 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 98.9 mttt -62.43 -38.56 90.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -57.82 -42.67 84.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.816 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.65 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.3 mtpm? -62.58 -41.96 99.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.594 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -58.41 -36.12 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.085 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 2.6 mm100 -64.81 -50.18 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.451 0.644 . . . . 0.0 110.525 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -56.21 -42.86 77.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.785 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.72 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.66 -41.98 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.09 44.47 44.87 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.29 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 41' ' ' GLN . 50.3 mm -99.77 134.11 21.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.336 0.112 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 87.9 Cg_exo -47.23 133.87 19.39 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.446 2.097 . . . . 0.0 112.105 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.83 -45.84 33.67 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 0.0 112.683 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.8 -43.41 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 53.6 tt0 -67.07 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.404 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.2 pt20 -63.45 138.46 58.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.05 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -146.13 106.95 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.1 mm? -75.66 116.23 16.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.744 HD12 HD22 ' A' ' 47' ' ' LEU . 96.9 mt -103.93 142.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.105 0.479 . . . . 0.0 111.726 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.479 ' HB3' HD23 ' B' ' 50' ' ' LEU . 32.4 t80 -160.34 144.49 14.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.814 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.71 35.2 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 110.541 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.08 28.51 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.809 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -173.02 138.69 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.25 0.525 . . . . 0.0 111.889 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.598 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.5 tt0 -58.22 127.33 31.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.725 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' B' ' 45' ' ' PHE . 45.1 mt -72.39 126.3 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.16 126.39 29.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.55 132.51 47.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.8 -35.02 3.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.471 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -67.21 -140.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -150.24 147.02 27.18 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.801 HD12 HG12 ' B' ' 17' ' ' VAL . 83.6 mt -52.98 -44.34 67.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -60.87 -36.53 79.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -53.91 -53.9 46.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.612 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.84 23.56 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.291 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 48.48 35.42 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.214 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.701 HD13 HD23 ' B' ' 56' ' ' LEU . 66.1 mt -68.7 124.43 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.964 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' B' ' 65' ' ' SER . 19.2 pt20 -87.87 147.99 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.727 ' HZ1' ' HA ' ' B' ' 1' ' ' MET . 59.6 tttp -53.76 142.03 24.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.709 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.6 mt-10 61.33 37.64 16.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 86.6 p -72.72 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.656 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.7 m -161.46 126.64 3.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.047 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.86 134.91 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.625 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 47.7 m170 -89.14 104.1 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 111.465 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.427 ' O ' HD23 ' B' ' 69' ' ' LEU . 4.9 tt -75.98 79.91 2.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.628 HG21 HD21 ' B' ' 8' ' ' LEU . 85.8 t -78.33 133.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.52 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.48 138.44 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.366 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.599 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.12 -23.52 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.6 pm0 -50.36 -37.21 35.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.638 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 15' ' ' ILE . 44.0 t -61.68 -47.11 86.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.719 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -58.12 -37.18 74.1 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.092 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 52.2 tp -62.06 -38.86 90.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.632 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -59.69 -49.05 79.26 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.7 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.516 HG21 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.72 -37.78 61.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.729 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.678 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.8 mt -60.93 -45.6 94.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.7 mtt -57.3 -50.4 73.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.23 -31.9 68.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.694 ' SD ' HG21 ' B' ' 44' ' ' ILE . 59.3 tpp -63.07 -38.35 90.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.884 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.09 103.43 26.71 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.36 49.87 3.35 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.767 2.312 . . . . 0.0 112.847 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.36 -44.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.592 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG22 ' HD3' ' A' ' 27' ' ' LYS . 68.0 mt -59.41 133.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.313 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p -62.84 141.76 58.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.249 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -47.43 84.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HE3' ' HE2' ' A' ' 31' ' ' HIS . 64.3 tttp -58.8 -46.99 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -58.61 -41.07 85.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.89 -42.14 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 96.9 t -60.59 -50.39 80.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' HE2' ' HE3' ' A' ' 27' ' ' LYS . 90.4 m-70 -59.6 -43.16 93.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD23 ' HB2' ' A' ' 9' ' ' HIS . 55.3 tp -59.27 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.481 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.08 -46.39 89.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 57.2 mm-40 -65.38 -46.8 78.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -78.78 44.21 0.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 46.72 32.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' HA ' HD11 ' A' ' 32' ' ' LEU . 75.8 m-20 55.81 48.19 18.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -113.47 137.78 51.05 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.725 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 43' ' ' ILE . 94.6 mt -83.62 -47.84 10.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -54.88 -50.23 69.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.41 -54.54 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 111.682 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 HD21 ' A' ' 46' ' ' LEU . 86.0 m -55.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 HG22 ' HG2' ' A' ' 19' ' ' MET . 63.2 mt -53.29 -40.76 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.73 -45.88 60.14 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.691 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.87 -39.11 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.135 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD21 HG22 ' A' ' 42' ' ' THR . 4.5 mm? -56.03 -35.92 67.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.959 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.727 HD23 HD12 ' B' ' 44' ' ' ILE . 77.2 mt -47.23 -50.07 21.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.64 -26.87 66.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.424 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.375 -179.637 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.943 0.401 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 70.8 mt-30 -62.34 153.86 29.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 15' ' ' LEU . 44.0 pt -142.86 138.52 27.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.79 141.13 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.364 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -124.62 79.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.669 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.3 tttt -76.92 129.45 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.417 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -77.02 -148.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.525 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.875 HD23 HG22 ' B' ' 70' ' ' VAL . 88.8 mt -108.38 48.5 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.628 0.251 . . . . 0.0 110.848 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -160.6 -52.27 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.436 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 171.65 -38.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.575 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.4 139.35 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.766 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.8 p -135.55 125.45 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.45 123.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.6 HG23 ' N ' ' B' ' 15' ' ' LEU . 95.0 m -90.12 142.72 27.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.6 ' N ' HG23 ' B' ' 14' ' ' THR . 8.1 mt -151.37 133.58 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 23.2 pt-20 -77.29 132.06 38.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 17' ' ' VAL . 29.1 m -147.9 133.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.058 0.456 . . . . 0.0 111.454 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.695 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 85.3 tt0 -67.34 139.81 57.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.006 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -63.56 -39.37 94.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.475 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 62.9 m -91.02 25.0 2.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.695 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 8.7 t0 -84.43 -124.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.244 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.542 HG21 ' OD1' ' B' ' 24' ' ' ASP . 8.4 t -167.56 144.22 4.28 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' B' ' 52' ' ' ASP . 38.9 mm -54.0 -47.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.052 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.542 ' OD1' HG21 ' B' ' 22' ' ' THR . 2.7 p30 -53.69 -42.44 67.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.488 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 46.1 t30 -59.81 -45.2 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.42 -49.28 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.473 ' HG2' HD11 ' B' ' 43' ' ' LEU . 98.0 mttt -60.89 -37.24 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -62.14 -44.9 95.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.58 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 8.1 mtpm? -59.68 -46.92 87.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.354 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.589 ' HA ' ' NZ ' ' B' ' 33' ' ' LYS . 68.3 mt -63.37 -36.48 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -59.96 -47.01 87.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.97 -42.12 77.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.408 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.59 ' NZ ' ' HB3' ' B' ' 33' ' ' LYS . 6.0 ttpm? -65.84 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.911 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.83 -40.75 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.847 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 31.28 30.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.054 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.449 HG23 HD11 ' B' ' 36' ' ' ILE . 49.3 mm -96.2 131.85 27.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.364 0.126 . . . . 0.0 110.802 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.46 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.9 Cg_endo -56.08 135.28 69.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.399 2.066 . . . . 0.0 111.927 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.51 -37.88 63.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.794 2.329 . . . . 0.0 112.93 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.81 -48.43 81.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.532 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.758 ' HB3' HD11 ' B' ' 71' ' ' LEU . 72.4 mt-30 -69.12 -53.84 18.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 2.8 pt20 -63.56 143.39 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.526 HH21 HG11 ' B' ' 70' ' ' VAL . 56.6 ttp180 -150.3 125.45 10.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' B' ' 27' ' ' LYS . 6.3 mp -93.28 132.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.612 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.727 HD12 HD23 ' A' ' 47' ' ' LEU . 97.1 mt -131.05 140.05 49.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.806 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.553 ' N ' HG23 ' B' ' 44' ' ' ILE . 33.9 t80 -159.89 152.86 21.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.763 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.97 31.51 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 110.3 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.16 34.61 81.41 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.634 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -172.36 143.29 1.41 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.144 0.472 . . . . 0.0 111.728 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.614 ' HB2' HD11 ' A' ' 47' ' ' LEU . 37.7 tt0 -57.66 132.8 54.34 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.711 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.9 mt -83.92 127.17 33.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.67 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.432 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.466 ' HB3' ' HZ2' ' B' ' 27' ' ' LYS . 2.7 p30 -71.35 147.76 47.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.795 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.529 ' HA2' ' OD2' ' B' ' 24' ' ' ASP . . . 96.97 -29.16 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' B' ' 54' ' ' ARG . 12.2 mmp_? -64.67 -145.08 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 111.198 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.402 ' HG1' ' HB2' ' B' ' 58' ' ' ASP . 65.1 p -150.49 146.1 26.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.227 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.622 HD21 HD11 ' B' ' 61' ' ' ILE . 93.2 mt -53.36 -44.05 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.75 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -58.59 -36.21 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.342 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.402 ' HB2' ' HG1' ' B' ' 55' ' ' THR . 8.4 t70 -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.444 ' HB2' HG13 ' B' ' 61' ' ' ILE . 2.5 m-85 -81.54 23.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 47.0 33.89 2.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.622 HD11 HD21 ' B' ' 56' ' ' LEU . 75.1 mt -72.53 126.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.285 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.473 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.3 pm0 -85.35 -157.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.902 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.415 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 62.8 pttt -92.26 147.28 23.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.778 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 58.44 39.93 24.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.8 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.2 m -92.01 84.69 5.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.777 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -86.28 140.71 29.84 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.759 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.669 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 51.3 m170 -100.73 127.74 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.5 80.28 2.83 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.296 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.875 HG22 HD23 ' B' ' 8' ' ' LEU . 89.3 t -71.55 133.33 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.954 0.407 . . . . 0.0 111.501 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' B' ' 40' ' ' GLN . 47.4 tp -98.75 138.1 36.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.602 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.3 tpt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.888 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.888 0.375 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -24.54 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.624 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 54.6 mt-10 -51.51 -43.43 62.26 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.2 p -58.56 -46.82 86.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.465 0.65 . . . . 0.0 109.468 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 30.6 mmtp -61.51 -37.95 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.21 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 65.9 tp -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.641 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -60.83 -46.67 89.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.564 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.77 -40.15 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.626 HD13 ' HE1' ' A' ' 31' ' ' HIS . 90.5 mt -61.12 -42.3 98.29 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.447 ' HB3' ' HE3' ' A' ' 17' ' ' MET . 83.2 mtp -60.15 -49.6 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.8 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.54 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 60.2 t0 -73.78 -32.36 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.603 ' SD ' HG23 ' B' ' 44' ' ' ILE . 56.7 tpp -66.16 -38.3 87.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.724 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' HE2' HD21 ' A' ' 16' ' ' LEU . 9.5 m-85 -129.52 67.99 79.74 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 10.4 Cg_endo -53.43 -38.48 82.95 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.474 2.116 . . . . 0.0 111.691 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.1 99.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.199 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 HG22 ' HD3' ' A' ' 27' ' ' LYS . 63.0 mt -68.29 135.72 27.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.309 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -62.11 143.06 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.849 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.71 -40.93 76.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' HG21 ' A' ' 30' ' ' VAL . 60.4 m -54.8 -48.66 72.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 23' ' ' ILE . 87.8 tttt -59.38 -38.1 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.681 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 87.0 mt -62.88 -43.47 98.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.503 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -65.39 -42.56 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 0.0 111.009 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 26' ' ' SER . 66.1 t -59.92 -59.22 4.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.681 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 3.9 p80 -58.77 -41.68 87.19 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 37' ' ' ASN . 56.1 tp -55.91 -43.43 77.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.3 mt -61.68 -41.61 97.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.324 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.56 -54.87 40.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.071 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -83.94 36.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 64.22 -74.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.71 ' HA ' HD12 ' A' ' 32' ' ' LEU . 23.3 p30 179.32 28.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.072 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.83 125.91 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' A' ' 43' ' ' ILE . 95.7 mt -79.17 -43.79 23.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.02 -49.38 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.65 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.15 -64.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.7 m -53.26 -58.56 6.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.074 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 39' ' ' LEU . 58.6 mt -57.34 -42.9 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.087 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.77 -45.72 54.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.788 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -74.47 -32.63 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.235 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -56.23 -44.47 79.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.478 -179.419 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' B' ' 49' ' ' GLN . 63.7 mt -48.74 -51.19 30.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -76.03 -31.33 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 -179.613 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.501 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 2.4 pt20 -67.65 143.16 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.452 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.708 HD12 HG23 ' B' ' 17' ' ' VAL . 40.9 pt -138.86 138.12 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.565 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -80.1 138.35 36.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.988 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.68 77.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.056 0.455 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.6 ttpt -80.48 133.68 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -70.23 -150.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.644 HD21 HG13 ' B' ' 70' ' ' VAL . 30.2 tp -105.78 41.86 1.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.338 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -150.15 -53.37 0.15 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.78 -40.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.716 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.2 tttp -52.66 131.35 34.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.9 m -121.12 136.05 55.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -117.13 121.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.523 HG22 ' N ' ' B' ' 15' ' ' LEU . 87.8 m -88.29 142.94 27.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.56 HD21 ' HZ2' ' B' ' 33' ' ' LYS . 7.9 mt -147.92 136.23 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 111.102 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.17 130.24 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.758 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.708 HG23 HD12 ' B' ' 3' ' ' ILE . 26.9 m -151.6 142.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 56' ' ' LEU . 0.3 OUTLIER -66.32 147.04 53.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.37 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -63.44 -45.67 89.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -87.05 25.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 39.1 t70 -77.13 -126.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.451 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 t -174.73 140.48 0.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.678 0.275 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.617 HD12 HD11 ' B' ' 50' ' ' LEU . 50.2 mm -52.24 -38.7 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.495 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 65.1 t0 -56.04 -47.81 77.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.463 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.61 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 49.9 t30 -62.97 -40.47 97.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.439 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 30' ' ' ILE . 50.5 t -57.14 -48.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.597 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.61 -37.51 86.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -58.65 -44.82 90.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.413 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.61 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 97.6 mttt -64.4 -44.1 92.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.7 mt -60.97 -37.98 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.597 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.471 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 41.4 tt0 -64.53 -46.83 81.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.251 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.34 -43.48 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.602 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.56 ' HZ2' HD21 ' B' ' 15' ' ' LEU . 87.2 tttt -70.86 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.83 -42.47 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.79 45.62 5.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.922 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.8 mt -124.53 133.95 25.17 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.456 0.169 . . . . 0.0 110.79 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.518 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 50.6 Cg_exo -54.31 134.61 61.79 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.438 2.092 . . . . 0.0 112.343 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 37.2 Cg_endo -65.41 -40.54 18.36 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.659 2.24 . . . . 0.0 112.528 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -57.34 -39.58 76.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 8.2 tt0 -74.39 -52.96 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.387 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.1 pt20 -69.67 132.52 46.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.949 0.404 . . . . 0.0 111.427 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' B' ' 42' ' ' ARG . 8.3 mmp_? -111.52 112.71 24.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.926 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.479 HD21 HD12 ' B' ' 50' ' ' LEU . 52.3 tp -83.84 82.6 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.759 HG12 HD21 ' A' ' 47' ' ' LEU . 83.1 mt -82.09 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 112.029 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.516 ' CE2' HG12 ' B' ' 61' ' ' ILE . 51.7 t80 -161.93 138.21 7.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.35 34.9 23.02 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.431 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 58.64 32.14 68.72 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.962 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.462 ' HE3' ' HB3' ' B' ' 48' ' ' LYS . 26.5 mmmt -154.5 138.07 16.0 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.676 0.274 . . . . 0.0 110.857 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.799 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -69.13 124.52 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.258 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.617 HD11 HD12 ' B' ' 23' ' ' ILE . 47.3 mt -69.23 125.21 25.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.599 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -82.07 140.36 33.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.437 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 1.5 m-20 -66.62 141.76 57.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.495 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 101.46 -37.25 3.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.954 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.538 ' O ' HG12 ' B' ' 23' ' ' ILE . 47.8 mmt-85 -70.21 130.13 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 111.535 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.3 p -71.26 154.84 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.725 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.9 mt -52.1 -38.67 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -54.88 -36.8 65.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.837 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -54.57 -56.01 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.538 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.479 ' HB2' HG13 ' B' ' 61' ' ' ILE . 30.5 m-85 -79.9 16.92 1.04 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.695 0.283 . . . . 0.0 110.935 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.7 t30 48.89 36.51 8.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.516 HG12 ' CE2' ' B' ' 45' ' ' PHE . 62.0 mt -71.09 123.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -80.95 -141.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -111.37 143.74 41.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.631 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.501 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 49.7 mt-10 59.23 33.43 22.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.699 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -73.15 139.78 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 82.7 m -80.21 128.3 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 98.9 mt -120.59 128.71 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.158 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 45.2 m170 -93.02 135.6 34.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 111.949 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.445 HD22 ' C ' ' B' ' 69' ' ' LEU . 6.3 tt -115.32 131.37 56.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.683 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.644 HG13 HD21 ' B' ' 8' ' ' LEU . 58.5 t -137.99 118.86 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 41' ' ' GLN . 94.3 mt -76.2 138.78 40.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 77.0 mtp180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.653 0.263 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -65.36 -24.89 67.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.195 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.3 mm-40 -51.43 -38.27 52.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.607 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -58.39 -48.02 81.99 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 58.8 mttp -61.69 -39.62 92.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.439 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.56 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.8 tp -58.49 -40.25 82.26 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.488 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.51 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 54.0 m -59.9 -45.2 93.3 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.294 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 19' ' ' MET . 28.0 mm -52.71 -46.07 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 97.5 mt -61.79 -38.25 87.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.818 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 59.7 mtt -53.25 -51.76 61.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.279 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 38.9 t70 -82.26 -26.58 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.964 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.616 ' HE3' ' HB3' ' B' ' 68' ' ' HIS . 48.6 tpp -63.01 -36.1 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 33.8 m-85 -137.99 71.79 48.19 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.2 Cg_exo -52.34 -37.49 71.61 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.689 2.259 . . . . 0.0 112.497 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.08 32.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.684 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' H ' ' C ' ' A' ' 21' ' ' PRO . 70.8 mt -148.67 133.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.722 0.296 . . . . 0.0 110.829 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -60.93 139.56 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.648 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -59.48 -38.14 80.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -54.18 -46.26 72.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.66 -47.09 87.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 16' ' ' LEU . 87.8 mt -58.01 -38.36 76.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.589 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 tt0 -62.91 -43.15 99.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.329 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.2 t -59.15 -51.75 68.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' HB3' HG21 ' A' ' 42' ' ' THR . 89.5 m-70 -59.92 -41.85 92.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 37' ' ' ASN . 55.9 tp -58.94 -47.11 86.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -60.88 -46.38 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.743 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.5 -45.83 91.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.001 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' OD1' HD21 ' A' ' 41' ' ' LEU . 75.8 m-20 -79.66 35.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.45 39.17 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.755 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.63 ' HA ' HD13 ' A' ' 32' ' ' LEU . 3.0 m120 56.66 41.63 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.634 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -104.76 129.85 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 12' ' ' LYS . 71.6 mt -79.01 -44.84 21.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.699 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -55.1 -48.55 73.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.659 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD21 ' OD1' ' A' ' 35' ' ' ASN . 4.0 tt -69.82 -59.03 3.19 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 111.027 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD21 ' A' ' 46' ' ' LEU . 69.8 m -51.33 -60.48 3.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.4 mt -59.43 -36.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.08 -51.65 34.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD11 HD23 ' A' ' 41' ' ' LEU . 7.4 mp -73.3 -39.6 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.641 0.258 . . . . 0.0 111.05 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 3.8 mm? -51.56 -43.19 62.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.63 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.594 HD12 ' NH2' ' B' ' 42' ' ' ARG . 79.0 mt -60.97 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.701 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -87.2 34.55 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.364 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 0.0 111.083 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.487 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 24.2 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.919 0.39 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.429 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 5.3 mp0 -114.41 138.11 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.711 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.8 pt -129.91 137.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.523 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.0 m-85 -77.22 137.94 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.447 ' CG2' HD22 ' B' ' 15' ' ' LEU . 42.5 t -137.1 78.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 37.7 ttpt -79.97 137.22 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.732 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -80.65 163.57 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.52 HD22 HG11 ' B' ' 70' ' ' VAL . 20.6 tp -77.26 52.9 0.96 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -158.01 -55.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.58 58.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.074 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -161.57 115.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.8 m -93.12 134.97 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.475 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.767 HG22 HD21 ' B' ' 15' ' ' LEU . 65.8 mt -120.77 124.36 72.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.657 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 36.3 m -86.85 115.8 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.862 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.767 HD21 HG22 ' B' ' 13' ' ' ILE . 3.7 mm? -113.65 131.59 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -81.51 137.37 35.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' B' ' 1' ' ' MET . 7.8 p -177.23 131.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.641 ' HG2' ' HB2' ' B' ' 21' ' ' ASP . 7.3 pm0 -68.53 149.02 49.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.756 ' HA ' HD13 ' B' ' 56' ' ' LEU . 50.8 m -58.75 -42.47 88.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.4 t -80.26 35.61 0.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.474 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.641 ' HB2' ' HG2' ' B' ' 18' ' ' GLU . 9.9 t0 -99.65 -122.15 0.15 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 6.3 t -172.55 140.74 1.07 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.717 0.294 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.587 HG12 ' O ' ' B' ' 54' ' ' ARG . 45.6 mm -51.41 -38.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.401 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -51.2 -42.27 60.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.45 -41.61 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.329 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.5 t -56.88 -48.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.295 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.2 mptm? -61.94 -36.58 81.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -61.83 -50.02 73.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.99 -45.92 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.2 mt -60.0 -39.56 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.673 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.624 HE21 ' HD3' ' B' ' 38' ' ' PRO . 50.8 tt0 -64.21 -45.24 89.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.721 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.77 -45.2 68.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.626 ' HB2' ' NZ ' ' B' ' 33' ' ' LYS . 4.7 ttmp? -64.88 -61.62 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -72.01 -39.0 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.748 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.83 29.4 47.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.116 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.9 mt -87.93 133.93 36.36 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.04 134.38 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.297 1.998 . . . . 0.0 112.083 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.624 ' HD3' HE21 ' B' ' 31' ' ' GLN . 14.4 Cg_endo -57.13 -45.41 35.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.386 2.058 . . . . 0.0 111.707 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -83.29 40.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 34.5 tt0 -162.19 35.23 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 110.693 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.37 146.35 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.594 ' NH2' HD12 ' A' ' 47' ' ' LEU . 74.9 mtp180 -144.0 122.57 12.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.368 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.4 mm? -83.71 123.65 30.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.333 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.536 HG23 ' N ' ' B' ' 45' ' ' PHE . 60.3 mt -111.91 144.25 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.683 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.536 ' N ' HG23 ' B' ' 44' ' ' ILE . 32.2 t80 -155.27 141.91 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.689 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.81 -64.48 0.35 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 110.55 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.65 24.08 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.018 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.586 ' HA ' HD21 ' A' ' 47' ' ' LEU . 39.1 ttpt -173.42 156.04 2.96 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 16.9 pt20 -59.57 138.14 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 HD21 ' B' ' 67' ' ' LEU . 96.2 mt -70.03 133.09 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 49.3 mt-10 -68.52 133.83 49.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.03 50.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.484 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.85 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.425 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.587 ' O ' HG12 ' B' ' 23' ' ' ILE . 39.4 mmt180 -150.91 135.08 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 74.5 p -63.78 156.03 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.756 HD13 ' HA ' ' B' ' 19' ' ' SER . 97.3 mt -53.41 -38.8 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 85.8 p -56.62 -28.35 60.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.491 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.3 -56.56 12.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' OH ' ' HG3' ' B' ' 51' ' ' GLU . 25.3 m-85 -82.46 30.96 0.4 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 0.0 111.065 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 49.88 34.67 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.495 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.54 118.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.36 -67.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 111.195 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.628 ' HB3' ' HZ2' ' B' ' 63' ' ' LYS . 0.2 OUTLIER 179.2 148.64 0.24 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.596 ' OE1' ' HG3' ' B' ' 63' ' ' LYS . 3.9 mp0 58.67 35.94 24.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 53.6 m -77.9 137.15 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.892 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.523 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 62.4 m -79.98 129.99 34.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.544 HD21 HD12 ' B' ' 50' ' ' LEU . 85.5 mt -122.27 126.59 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.777 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.616 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 41.7 m170 -92.55 131.0 38.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.881 0.372 . . . . 0.0 111.922 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -109.03 106.7 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.52 HG11 HD22 ' B' ' 8' ' ' LEU . 78.2 t -92.63 122.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.75 130.58 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.493 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.149 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.517 ' ND1' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.47 -22.89 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.637 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.3 -39.39 45.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.332 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.481 ' OG ' HG22 ' B' ' 9' ' ' THR . 46.7 t -63.64 -43.49 96.63 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.7 mmtt -62.4 -36.45 82.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.151 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.4 tp -60.74 -40.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.001 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 17' ' ' MET . 48.9 m -59.4 -42.93 92.9 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' MET . 37.0 mm -53.64 -46.51 61.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB3' HD11 ' A' ' 28' ' ' LEU . 94.2 mt -60.67 -37.21 80.84 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.56 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 84.7 mtp -55.9 -51.72 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.482 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 37.8 t70 -81.8 -26.13 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.59 ' HE2' ' HB3' ' B' ' 68' ' ' HIS . 46.0 tpp -65.45 -37.96 88.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.88 69.53 58.09 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.018 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 8.0 Cg_endo -50.5 -40.79 54.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.734 2.289 . . . . 0.0 112.28 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.68 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.475 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.713 HG22 ' HD3' ' A' ' 27' ' ' LYS . 68.7 mt -66.38 139.45 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -63.47 145.22 56.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.273 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -59.01 -47.08 86.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.6 m -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.713 ' HD3' HG22 ' A' ' 23' ' ' ILE . 60.7 tttm -58.94 -44.56 91.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 16' ' ' LEU . 93.6 mt -59.81 -42.82 94.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.877 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 53.7 tt0 -61.01 -42.46 98.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.701 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 98.2 t -59.29 -52.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.2 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-70 -57.22 -48.09 79.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 37' ' ' ASN . 60.7 tp -54.39 -43.7 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.0 mt -67.25 -34.55 77.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.798 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 49.3 mt-10 -55.81 -56.74 16.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.589 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 2.9 m120 -61.92 -71.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.342 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.589 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 16.7 t-20 167.76 42.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.6 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 72.6 m-20 57.45 40.79 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.83 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -121.83 133.28 54.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.632 ' HB3' HD12 ' A' ' 43' ' ' ILE . 92.6 mt -72.51 -40.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.777 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.6 -50.62 67.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 45' ' ' LEU . 8.5 mp -74.17 -55.08 6.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 76.8 m -55.01 -54.87 37.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.455 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 39' ' ' LEU . 58.7 mt -68.29 -38.71 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.73 -50.74 30.67 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.192 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 41' ' ' LEU . 7.8 mp -77.72 -30.98 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.712 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -57.34 -45.26 84.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.702 -179.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' B' ' 48' ' ' LYS . 69.1 mt -54.97 -47.06 75.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.907 0.384 . . . . 0.0 111.133 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.65 -42.19 87.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.524 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' B' ' 16' ' ' GLU . 11.0 mm100 -114.62 155.6 26.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 2' ' ' GLN . 34.7 pt -141.67 126.14 16.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.55 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 1.5 m-85 -98.06 95.47 7.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.828 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.405 HG11 ' HB2' ' B' ' 69' ' ' LEU . 25.5 t -78.75 77.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 1.7 tmtp? -79.03 123.8 27.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.91 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 9' ' ' THR . 68.8 p -73.1 151.38 41.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.629 HD12 HG21 ' B' ' 70' ' ' VAL . 86.1 mt -48.04 87.59 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.481 HG22 ' OG ' ' A' ' 11' ' ' SER . 33.1 m 58.97 69.65 0.71 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.33 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 -113.02 0.29 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.349 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.525 ' HE3' HG12 ' B' ' 13' ' ' ILE . 55.3 tttp -90.14 130.97 36.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.635 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 57.6 m -99.94 107.38 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.525 HG12 ' HE3' ' B' ' 11' ' ' LYS . 59.5 mt -90.11 98.65 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.58 HG23 ' N ' ' B' ' 15' ' ' LEU . 95.5 m -79.12 142.18 36.64 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.58 ' N ' HG23 ' B' ' 14' ' ' THR . 11.4 mt -149.95 141.0 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.452 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' B' ' 2' ' ' GLN . 38.9 tt0 -90.14 133.69 34.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.8 m -152.71 134.46 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.007 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.63 146.51 54.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -77.68 42.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.71 38.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.016 0.436 . . . . 0.0 110.749 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.536 ' O ' HG22 ' B' ' 55' ' ' THR . 64.4 m-20 -108.03 -120.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.678 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.409 HG22 ' HB2' ' B' ' 25' ' ' ASN . 7.7 t -166.57 143.74 4.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.545 HG21 ' O ' ' B' ' 51' ' ' GLU . 45.6 mm -52.31 -43.25 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.94 -40.48 66.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 23.3 t-20 -60.28 -41.61 93.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.76 -48.97 86.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HD2' ' OD2' ' B' ' 52' ' ' ASP . 99.3 mttt -60.89 -42.47 98.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.8 p -59.39 -43.26 92.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 28.9 mtpp -60.12 -43.31 95.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.152 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.475 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 69.5 mt -62.18 -39.47 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.431 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 52.1 tt0 -62.29 -49.29 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.69 -45.72 85.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.79 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.28 -62.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' B' ' 30' ' ' ILE . 7.7 mp0 -71.24 -42.18 69.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.06 49.36 3.8 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.174 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -133.75 134.46 23.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.554 0.216 . . . . 0.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.4 Cg_exo -54.65 138.06 74.85 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.622 2.214 . . . . 0.0 112.625 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.55 -40.22 68.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.85 2.367 . . . . 0.0 112.717 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.92 -46.85 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.299 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.518 ' HB3' HD11 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -64.34 -50.57 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.614 ' HB2' HD13 ' B' ' 69' ' ' LEU . 19.3 pt20 -70.66 140.34 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -130.45 124.47 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.553 HD23 HD11 ' B' ' 69' ' ' LEU . 92.3 mt -96.78 83.07 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.779 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.544 HG12 HD22 ' A' ' 47' ' ' LEU . 63.8 mt -81.74 142.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HE2' HG12 ' B' ' 61' ' ' ILE . 20.1 t80 -162.75 142.84 9.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.89 -30.64 0.21 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.713 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 163.16 -14.15 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.311 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.599 ' HA ' HD21 ' A' ' 47' ' ' LEU . 23.6 pttm -164.26 163.21 22.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.894 0.378 . . . . 0.0 111.377 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 3.4 tm0? -52.6 135.48 34.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.466 ' O ' HG13 ' B' ' 23' ' ' ILE . 87.1 mt -75.45 44.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.545 ' O ' HG21 ' B' ' 23' ' ' ILE . 50.4 mt-10 51.67 -166.59 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.478 ' OD2' ' HD2' ' B' ' 27' ' ' LYS . 9.7 t0 -145.4 52.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.067 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.25 48.8 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.403 ' C ' HG21 ' B' ' 55' ' ' THR . 39.7 mmt180 -141.11 -144.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.464 0.173 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.536 HG22 ' O ' ' B' ' 21' ' ' ASP . 73.0 p -150.49 147.21 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.482 HD22 HD13 ' B' ' 61' ' ' ILE . 98.2 mt -53.7 -41.01 66.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -62.91 -34.59 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.348 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.33 -50.57 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.268 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 61' ' ' ILE . 18.0 m-85 -79.35 19.8 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 46.5 37.34 4.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.539 HG12 ' HE2' ' B' ' 45' ' ' PHE . 71.4 mt -67.71 128.91 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HE2' ' B' ' 1' ' ' MET . 46.7 tt0 -66.86 -114.9 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.157 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 19.4 ptpt -154.55 153.91 32.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.529 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 11.7 pt-20 46.83 32.9 1.94 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.167 0.508 . . . . 0.0 110.703 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -75.71 137.26 40.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.828 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.55 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.9 m -83.2 100.86 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.47 ' N ' HD13 ' B' ' 67' ' ' LEU . 9.1 mp -86.61 135.82 33.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.59 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 43.0 m170 -86.32 134.29 33.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.009 0.433 . . . . 0.0 111.968 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.614 HD13 ' HB2' ' B' ' 41' ' ' GLN . 59.3 tp -109.16 133.85 52.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.078 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 HD12 ' B' ' 8' ' ' LEU . 47.8 t -135.37 124.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.931 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 40' ' ' GLN . 47.9 tp -94.81 130.51 41.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.098 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 74.9 mtt-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.396 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 121.022 0.439 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.816 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.91 -23.85 60.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.2 pt-20 -50.5 -39.0 47.3 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.183 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -58.43 -48.06 81.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.391 0.615 . . . . 0.0 109.397 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 67.1 mttm -62.11 -39.17 91.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.425 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.3 tp -59.15 -39.27 81.92 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.475 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.411 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 46.8 t -60.65 -44.56 96.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.21 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.9 mm -56.17 -40.67 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD21 ' HE2' ' A' ' 20' ' ' PHE . 97.1 mt -61.7 -41.2 97.27 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.466 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.529 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 mtp -54.93 -53.78 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 9.9 t0 -74.5 -31.25 62.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.67 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.578 ' HE3' ' HB3' ' B' ' 68' ' ' HIS . 59.8 tpp -56.75 -38.54 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' HE2' HD21 ' A' ' 16' ' ' LEU . 4.3 m-85 -130.48 110.71 16.33 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.76 57.11 5.92 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.826 2.351 . . . . 0.0 112.382 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 23' ' ' ILE . . . -161.75 -46.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.909 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.685 HG22 ' HD3' ' A' ' 27' ' ' LYS . 4.3 mp -74.44 132.04 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.96 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.7 m -68.82 154.38 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 55.6 mtpt -55.77 -39.52 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -58.13 -49.62 76.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.619 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' HD3' HG22 ' A' ' 23' ' ' ILE . 88.5 tttt -60.61 -50.34 73.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' HG ' HG23 ' A' ' 23' ' ' ILE . 95.9 mt -56.82 -40.62 76.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.71 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.9 tt0 -58.99 -45.45 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.969 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 t -58.31 -44.58 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.636 ' HE2' ' HE2' ' A' ' 27' ' ' LYS . 91.3 m-70 -59.67 -46.2 89.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.291 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -63.16 -43.51 98.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.036 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.9 mt -58.08 -45.37 87.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 59.9 mm-40 -64.45 -45.48 87.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.644 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -79.36 28.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' GLU . 5.4 m120 63.12 -72.62 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.927 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 25.9 t-20 178.09 72.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -153.8 127.98 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 8' ' ' LEU . 92.8 mt -77.69 -39.86 43.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.429 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.9 -45.78 74.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.31 -61.23 1.93 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 111.01 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.419 HG23 ' HB3' ' A' ' 31' ' ' HIS . 63.0 m -51.86 -62.94 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.175 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.9 mt -55.69 -39.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.62 -45.11 47.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.457 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 45' ' ' LEU . 7.4 tt -69.97 -40.12 75.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.343 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.32 -49.55 74.0 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' B' ' 49' ' ' GLN . 74.2 mt -53.96 -49.49 68.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.905 0.383 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -82.92 43.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.459 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.074 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.432 ' SD ' ' HB3' ' B' ' 19' ' ' SER . 27.4 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.888 0.375 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.446 ' OE1' ' HB3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -145.94 -179.02 6.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.378 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.545 HG12 ' HB ' ' B' ' 17' ' ' VAL . 7.0 pt -146.19 137.1 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.662 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' B' ' 64' ' ' GLU . 2.7 m-85 -77.9 143.24 37.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.37 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.402 HG11 ' CD1' ' B' ' 30' ' ' ILE . 61.9 t -133.17 80.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.352 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 65.1 tttp -78.29 121.74 24.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.842 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.535 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 82.7 p -73.77 149.02 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.482 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 69' ' ' LEU . 30.2 tp -51.58 -39.69 58.37 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.339 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -74.16 -59.93 2.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.535 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 161.47 103.16 0.18 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.912 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.554 ' HB2' ' NZ ' ' B' ' 11' ' ' LYS . 4.9 ttmp? 177.67 117.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.617 0.246 . . . . 0.0 110.684 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -90.06 76.51 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.383 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.467 HG13 ' HG2' ' B' ' 11' ' ' LYS . 61.9 mt -75.91 112.68 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.509 HG21 ' N ' ' B' ' 15' ' ' LEU . 82.4 m -92.89 142.29 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.624 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.509 ' N ' HG21 ' B' ' 14' ' ' THR . 12.3 mt -141.69 142.82 33.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.837 0.351 . . . . 0.0 111.261 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.88 124.85 26.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.885 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.545 ' HB ' HG12 ' B' ' 3' ' ' ILE . 40.9 t -150.32 129.86 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.426 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' B' ' 20' ' ' SER . 42.0 mm-40 -72.6 160.72 31.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.065 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.432 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 71.5 p -76.09 27.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 18' ' ' GLU . 87.6 p -165.1 28.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 38.8 t70 -76.09 -121.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.217 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -173.77 138.71 0.66 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.252 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.5 mm -54.66 -41.5 56.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.554 ' H ' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -53.7 -44.78 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' HB3' ' OD2' ' B' ' 21' ' ' ASP . 22.7 t-20 -58.25 -42.67 86.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.446 HG21 HD13 ' B' ' 3' ' ' ILE . 47.9 t -55.99 -47.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.298 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.482 ' HZ3' HG23 ' B' ' 23' ' ' ILE . 63.4 mttp -61.36 -36.45 80.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 m -59.87 -51.17 70.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.39 -46.74 88.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.835 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.402 ' CD1' HG11 ' B' ' 5' ' ' VAL . 72.8 mt -61.29 -37.89 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.77 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -46.03 91.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.297 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -67.51 -47.17 70.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.793 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.84 -61.59 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.07 -41.62 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.894 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.53 3.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.386 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -132.43 132.88 23.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.467 0.175 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' B' ' 40' ' ' GLN . 10.0 Cg_endo -53.15 138.73 63.22 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.608 2.205 . . . . 0.0 112.112 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.38 -44.55 48.43 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.767 2.311 . . . . 0.0 112.404 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.86 -40.71 93.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' B' ' 72' ' ' ARG . 70.7 tp60 -64.15 -50.6 67.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.188 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' B' ' 69' ' ' LEU . 3.2 pt20 -74.49 138.83 43.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.621 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.569 HH21 ' HG2' ' B' ' 72' ' ' ARG . 12.7 ptp180 -130.49 128.24 40.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.46 HD21 HD12 ' B' ' 69' ' ' LEU . 83.6 mt -90.33 138.26 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' A' ' 19' ' ' MET . 91.6 mt -127.06 138.94 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.209 0.528 . . . . 0.0 111.311 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -163.76 140.87 7.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.389 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 34.01 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 59.38 32.22 72.06 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.905 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.439 ' HG2' ' C ' ' B' ' 47' ' ' GLY . 26.7 mmmt -153.85 138.56 17.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.594 0.235 . . . . 0.0 110.794 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.801 ' HB3' HD11 ' A' ' 47' ' ' LEU . 15.9 pt20 -66.22 125.89 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.407 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -78.18 128.09 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -78.2 136.32 37.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.341 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 50.2 p-10 -64.34 150.88 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.554 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 86.65 -32.11 4.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.727 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.592 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.4 mmt-85 -65.17 134.2 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.491 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -72.22 150.22 43.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.717 HD21 HD12 ' B' ' 61' ' ' ILE . 72.2 mt -54.36 -38.33 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -54.45 -34.98 62.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.804 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -53.33 -53.87 44.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -85.25 28.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.94 39.18 13.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.717 HD12 HD21 ' B' ' 56' ' ' LEU . 67.3 mt -73.53 121.7 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -80.18 -69.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.583 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -177.94 152.16 0.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.205 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.528 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . 16.8 pt-20 44.72 37.54 2.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -69.32 143.99 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.515 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 89.8 m -86.59 123.57 31.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.463 HD13 ' C ' ' B' ' 66' ' ' THR . 6.8 mp -119.24 131.84 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.295 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.619 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -93.9 127.21 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.002 0.43 . . . . 0.0 112.121 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' B' ' 8' ' ' LEU . 60.3 tp -94.11 136.99 33.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.851 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 87.5 t -142.1 144.95 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.884 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' B' ' 71' ' ' LEU . 89.3 mt -78.27 141.73 38.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.591 ' HB2' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.228 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.65 0.262 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.479 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.77 -23.42 58.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 16.1 pt-20 -50.25 -35.95 29.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 14' ' ' SER . 67.6 m -59.82 -49.84 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.16 -42.46 77.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.113 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 17' ' ' MET . 53.6 tp -60.73 -35.99 77.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.771 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -58.89 -48.76 80.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.499 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.803 HG21 HD22 ' B' ' 8' ' ' LEU . 2.1 mp -57.53 -40.62 75.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.645 ' HB3' HD11 ' A' ' 28' ' ' LEU . 77.1 mt -60.5 -45.62 93.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 81.9 mtp -55.95 -51.45 67.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -71.72 -30.46 65.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.968 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' HG23 ' B' ' 44' ' ' ILE . 60.0 tpp -60.75 -45.77 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.918 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 106.41 47.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.652 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.26 50.11 3.43 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.702 2.268 . . . . 0.0 112.596 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.92 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.521 HG23 ' HG ' ' A' ' 28' ' ' LEU . 64.4 mt -62.59 132.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -63.16 140.04 58.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -56.34 -39.97 73.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 t -58.71 -45.9 88.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' NZ ' ' HE2' ' A' ' 31' ' ' HIS . 62.4 tttm -59.19 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 16' ' ' LEU . 97.1 mt -56.84 -41.52 78.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.717 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB2' HD21 ' A' ' 13' ' ' LEU . 8.5 tt0 -61.44 -42.7 99.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.01 -47.74 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.483 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 93.5 m-70 -61.17 -40.07 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 37' ' ' ASN . 30.3 tp -62.66 -42.97 99.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.17 -47.29 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.582 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.67 -50.85 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.356 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.421 HD21 ' HG1' ' A' ' 42' ' ' THR . 75.0 m-20 -85.12 32.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.185 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 64.9 -71.89 0.07 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.332 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.702 ' HA ' HD11 ' A' ' 32' ' ' LEU . 49.2 t30 -179.09 33.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.9 mt -88.84 -45.13 9.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.839 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.63 -48.03 82.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.56 -56.95 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 0.0 111.033 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.62 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 94.3 m -55.74 -60.63 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 62.3 mt -58.84 -39.12 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.45 -48.91 53.83 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.4 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 45' ' ' LEU . 7.5 tt -69.09 -40.76 78.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 42' ' ' THR . 87.4 mt -55.92 -36.94 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.202 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' B' ' 48' ' ' LYS . 90.0 mt -52.37 -43.64 64.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 1.7 mmmp? -81.36 41.22 0.6 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.452 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 -179.512 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.541 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.1 pt20 -137.56 137.71 38.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.82 140.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.52 142.97 32.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.459 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.8 t -127.07 78.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.177 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.685 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 49.6 tttm -69.29 126.58 30.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.468 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 82.7 p -91.81 150.04 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.803 HD22 HG21 ' A' ' 15' ' ' ILE . 96.2 mt -47.93 -38.7 17.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 110.542 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.415 ' HG1' ' N ' ' B' ' 10' ' ' GLY . 70.8 p -63.1 -57.65 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.573 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.468 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 149.4 63.14 0.01 OUTLIER Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.259 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.603 ' NZ ' HG12 ' B' ' 13' ' ' ILE . 61.0 tttm -155.78 118.71 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.047 0.424 . . . . 0.0 111.28 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.578 HG23 ' HB2' ' B' ' 6' ' ' LYS . 76.8 p -91.57 78.19 5.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.648 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.603 HG12 ' NZ ' ' B' ' 11' ' ' LYS . 57.3 mt -61.02 121.6 9.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.773 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 78.8 m -90.91 133.16 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.573 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.561 HD22 HG22 ' B' ' 13' ' ' ILE . 3.8 mm? -131.21 149.41 52.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.464 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 89.1 tt0 -93.52 126.51 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.574 HG13 HG22 ' B' ' 26' ' ' VAL . 31.4 m -152.12 137.8 11.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.943 0.401 . . . . 0.0 111.368 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' B' ' 20' ' ' SER . 5.4 tp10 -66.61 146.61 54.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.5 m -55.24 -40.48 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.662 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.481 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 54.9 m -97.84 35.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.555 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.9 t -172.94 143.51 1.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.532 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.7 mm -52.88 -38.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.56 -44.35 76.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 25.5 t-20 -60.59 -43.17 97.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.574 HG22 HG13 ' B' ' 17' ' ' VAL . 55.8 t -59.2 -46.01 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -61.87 -46.14 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.2 mtpp -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.17 -34.63 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.063 0.459 . . . . 0.0 110.419 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.463 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 7.5 tt0 -60.84 -49.63 76.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.55 -41.9 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.486 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.02 -60.74 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.934 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -79.81 -40.54 28.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.875 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.72 44.95 3.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.16 133.85 24.28 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.437 0.16 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 69.7 Cg_exo -50.85 137.8 42.72 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 0.0 112.055 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.9 Cg_endo -59.42 -45.1 28.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.592 2.195 . . . . 0.0 112.511 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.77 -44.12 97.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.481 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 42.5 tt0 -61.43 -55.51 30.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.477 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -67.57 143.69 55.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.694 HH21 HG13 ' B' ' 70' ' ' VAL . 85.4 mtm180 -137.5 124.49 21.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.698 HD21 HD12 ' B' ' 69' ' ' LEU . 87.4 mt -93.53 88.02 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.598 HG23 ' SD ' ' A' ' 19' ' ' MET . 89.4 mt -81.6 141.43 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.253 0.549 . . . . 0.0 111.515 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.458 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.2 t80 -165.14 151.61 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.542 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.72 19.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.334 0.588 . . . . 0.0 109.97 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.23 30.83 76.02 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 113.633 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.557 ' HA ' HD23 ' A' ' 47' ' ' LEU . 38.6 ttpt -173.11 146.11 1.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.206 0.503 . . . . 0.0 111.945 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' B' ' 42' ' ' ARG . 3.4 tp60 -54.56 127.32 27.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.032 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.458 HD21 ' HB3' ' B' ' 45' ' ' PHE . 79.1 mt -76.3 132.02 39.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 93.9 mt-10 -69.56 131.07 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.51 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.41 -41.57 94.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.988 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.79 50.75 4.32 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.745 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.691 ' HA ' ' HE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -149.4 133.07 16.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.8 p -74.56 155.02 38.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.28 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' B' ' 61' ' ' ILE . 95.0 mt -52.96 -41.01 64.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.2 m -56.48 -33.35 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.632 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -51.83 -56.17 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.603 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.448 ' HB2' HG13 ' B' ' 61' ' ' ILE . 31.1 m-85 -85.53 25.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 48.14 35.92 5.93 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.5 mt -69.1 129.57 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.464 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.88 155.82 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.407 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -48.9 147.76 2.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.541 ' OE1' ' HG3' ' B' ' 2' ' ' GLN . 4.4 mm-40 64.97 38.21 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.23 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -70.03 137.73 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.37 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 46.3 m -85.84 74.6 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.92 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.9 mt -85.22 127.8 34.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.58 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.588 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 44.7 m170 -94.96 130.63 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 111.796 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.698 HD12 HD21 ' B' ' 43' ' ' LEU . 62.4 tp -100.75 135.67 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.83 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.694 HG13 HH21 ' B' ' 42' ' ' ARG . 92.5 t -140.61 127.46 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.052 0.453 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' B' ' 71' ' ' LEU . 85.5 mt -78.96 144.76 34.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.323 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 52.1 ttp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.635 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -77.12 -23.35 51.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.465 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 16.3 pt-20 -50.18 -40.02 45.64 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.815 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -61.96 -47.65 83.92 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mmtt -57.97 -35.23 70.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.259 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 49.5 tp -63.39 -43.1 98.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.3 p -60.11 -46.67 88.84 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 HD11 ' B' ' 8' ' ' LEU . 1.7 mp -56.39 -40.2 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.84 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 72.9 mt -61.7 -41.71 97.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.817 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.0 mtt -57.64 -51.29 70.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -71.08 -33.63 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.582 ' SD ' HG23 ' B' ' 44' ' ' ILE . 61.7 tpp -60.79 -42.6 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.983 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' HE2' HD21 ' A' ' 16' ' ' LEU . 18.2 m-85 -122.96 99.98 40.63 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.31 49.98 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.771 2.314 . . . . 0.0 112.732 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.19 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.677 0.275 . . . . 0.0 111.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG23 ' HG ' ' A' ' 28' ' ' LEU . 64.0 mt -59.07 134.19 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.252 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.3 p -61.19 140.47 57.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.43 -41.93 77.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -57.02 -45.32 83.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.62 -50.29 74.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.554 ' HG ' HG23 ' A' ' 23' ' ' ILE . 97.9 mt -56.89 -39.24 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.1 tt0 -64.11 -42.2 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.683 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.54 -50.72 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -60.66 -43.34 97.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 110.76 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 37' ' ' ASN . 37.7 tp -60.01 -41.43 92.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.061 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 94.9 mt -65.17 -46.3 81.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.536 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.12 -54.13 49.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.556 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.52 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 75.5 m-80 -82.7 35.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.29 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 63.29 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.486 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.624 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -178.95 34.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' ' 35' ' ' ASN . 2.3 p30 -90.94 134.3 34.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.989 0.423 . . . . 0.0 111.132 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.737 HD11 HD11 ' B' ' 8' ' ' LEU . 93.6 mt -92.35 -42.66 9.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.443 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 65.4 tp -69.73 -54.75 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 90.1 m -56.49 -56.9 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.408 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.51 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 65.7 mt -60.77 -41.94 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.53 -46.21 53.3 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.915 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.3 -38.48 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.8 mt -61.89 -41.76 98.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.865 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.576 HD23 HG12 ' B' ' 44' ' ' ILE . 79.3 mt -54.14 -43.15 70.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.917 0.389 . . . . 0.0 110.658 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -65.6 -32.87 74.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.221 -179.724 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 25.7 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -87.15 143.46 27.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.697 HD13 HG11 ' B' ' 26' ' ' VAL . 49.3 pt -137.66 132.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 111.041 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.554 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -82.05 144.87 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.608 HG22 HD21 ' B' ' 15' ' ' LEU . 43.5 t -131.96 78.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.369 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.38 120.24 12.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.532 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 82.0 p -74.32 148.3 41.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.737 HD11 HD11 ' A' ' 39' ' ' LEU . 33.9 tp -46.96 -34.35 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.349 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.0 p -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.557 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 163.91 -42.9 0.32 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.205 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.87 125.97 20.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.779 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -98.2 132.53 43.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.491 HG21 HD23 ' B' ' 15' ' ' LEU . 68.5 mt -112.72 125.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.426 ' C ' HD22 ' B' ' 15' ' ' LEU . 90.1 m -94.14 129.48 40.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.295 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.608 HD21 HG22 ' B' ' 5' ' ' VAL . 3.9 mm? -121.75 139.98 52.9 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.473 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 88.7 tt0 -89.35 122.47 32.61 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.511 ' O ' HG12 ' B' ' 17' ' ' VAL . 2.2 p -167.5 129.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.369 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.606 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 80.7 mt-10 -76.46 143.94 40.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.627 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 44.4 t -58.93 -21.34 57.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.055 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -72.46 -28.72 63.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.939 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.606 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.2 m-20 -59.89 -121.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -167.4 149.04 5.71 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 0.0 111.576 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.9 mm -54.27 -42.44 57.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.433 ' H ' ' H ' ' B' ' 53' ' ' GLY . 33.7 t70 -55.2 -41.47 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.622 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 23.8 t-20 -61.0 -43.13 99.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.388 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.697 HG11 HD13 ' B' ' 3' ' ' ILE . 84.9 t -57.75 -52.14 61.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.64 -36.91 74.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.272 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 50.6 m -61.71 -44.27 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.629 ' HZ1' ' HB3' ' B' ' 29' ' ' LYS . 7.3 mtpm? -59.09 -44.39 91.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.727 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.15 -33.88 65.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.258 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.465 HE21 ' HD3' ' B' ' 38' ' ' PRO . 49.4 tt0 -61.78 -47.43 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.67 -43.03 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.624 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.0 -63.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.954 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.15 -38.0 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.07 8.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.982 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -117.36 135.64 23.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.181 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.67 140.4 37.08 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.484 2.123 . . . . 0.0 112.409 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' HE21 ' B' ' 31' ' ' GLN . 49.1 Cg_exo -55.83 -42.05 71.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.637 2.225 . . . . 0.0 112.607 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.36 -41.96 84.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.663 HE21 HD11 ' B' ' 71' ' ' LEU . 40.5 tt0 -60.32 -52.16 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -86.46 145.95 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 110.76 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.47 ' HD2' ' NE2' ' B' ' 49' ' ' GLN . 82.7 mtm180 -144.3 125.76 14.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 69' ' ' LEU . 6.6 mp -88.18 114.21 24.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.901 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 88.2 mt -101.14 142.97 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.572 ' N ' HG22 ' B' ' 44' ' ' ILE . 21.6 t80 -160.24 144.54 14.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.064 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.69 35.02 24.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.151 0.501 . . . . 0.0 110.439 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 29.88 71.38 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.547 -0.752 . . . . 0.0 113.505 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.534 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -172.74 137.35 0.77 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.962 0.41 . . . . 0.0 111.778 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.639 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.9 tt0 -58.09 126.45 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.297 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' B' ' 45' ' ' PHE . 73.4 mt -70.36 126.6 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.41 126.64 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.7 p30 -71.78 146.37 48.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.832 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.433 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 108.47 -34.16 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.23 -143.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.307 . . . . 0.0 111.075 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 54.5 p -151.36 145.17 25.1 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.627 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 97.0 mt -55.46 -36.29 66.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.609 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.34 -40.54 94.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.195 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.23 -56.44 21.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -68.81 -11.21 60.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.632 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 62.08 38.34 14.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.445 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.6 mt -66.73 125.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -67.17 159.19 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.584 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -67.36 136.09 54.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 62.05 41.72 10.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.638 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.8 m -76.9 143.82 39.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.554 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 68.5 m -83.53 86.17 7.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.369 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 8.9 mp -86.01 126.87 34.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.782 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.452 ' CG ' ' HE1' ' A' ' 19' ' ' MET . 10.2 m-70 -77.08 156.38 31.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.517 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 43' ' ' LEU . 44.9 tp -143.1 91.21 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.721 ' HA ' ' HB2' ' B' ' 8' ' ' LEU . 88.7 t -75.75 135.53 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.32 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.663 HD11 HE21 ' B' ' 40' ' ' GLN . 44.1 tp -101.18 126.16 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.899 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.512 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 79.5 ttt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.643 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.569 0.223 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -74.02 -26.2 60.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.355 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 56.2 mt-10 -52.65 -38.97 61.33 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.09 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' SER . 25.8 m -59.4 -50.62 73.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.559 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 95.2 mttt -59.27 -39.43 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.358 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 16' ' ' LEU . 55.4 tp -61.96 -36.51 81.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.558 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' SER . 44.2 t -59.3 -46.67 87.92 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 HG23 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.71 -39.33 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.545 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 13' ' ' LEU . 97.6 mt -59.79 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB2' ' HE1' ' A' ' 17' ' ' MET . 59.1 mtm -60.13 -51.2 70.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.524 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.485 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.8 t70 -67.49 -40.78 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.519 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.703 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 56.0 ttm -60.18 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.273 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.674 ' HZ ' HG22 ' A' ' 43' ' ' ILE . 25.1 m-85 -105.01 92.09 5.01 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.957 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 19' ' ' MET . 87.2 Cg_endo -78.07 59.63 7.04 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.634 2.223 . . . . 0.0 112.224 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 23' ' ' ILE . . . -165.71 -48.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.091 0.472 . . . . 0.0 111.682 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 ' HB3' ' A' ' 20' ' ' PHE . 3.9 mp -74.12 135.23 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.801 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -61.78 147.46 46.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.507 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' HD23 ' A' ' 13' ' ' LEU . 62.0 tttp -56.47 -39.14 72.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.088 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 30' ' ' VAL . 61.5 m -56.53 -47.59 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HE3' ' HE2' ' A' ' 31' ' ' HIS . 62.9 tttp -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.919 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 28' ' ' LEU . 96.8 mt -56.97 -39.55 74.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.509 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.5 tt0 -62.28 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.648 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 68.8 t -60.55 -47.88 90.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HE2' ' HE3' ' A' ' 27' ' ' LYS . 91.1 m-70 -60.25 -44.1 95.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 37' ' ' ASN . 39.6 tp -60.77 -41.25 95.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -64.7 -45.66 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.419 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 54.2 mt-10 -58.61 -52.12 67.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.067 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' OD1' HD22 ' A' ' 41' ' ' LEU . 72.9 m-80 -83.71 32.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 64.75 -72.82 0.06 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 32' ' ' LEU . 23.5 p30 -177.92 31.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -86.83 127.81 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' B' ' 8' ' ' LEU . 76.3 mt -79.71 -52.91 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.751 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.12 -40.86 70.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.646 0.26 . . . . 0.0 111.158 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD22 ' OD1' ' A' ' 35' ' ' ASN . 40.8 tp -68.84 -65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.076 0.465 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.469 ' O ' HD22 ' A' ' 46' ' ' LEU . 97.3 m -51.27 -59.73 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.035 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.674 HG22 ' HZ ' ' A' ' 20' ' ' PHE . 73.4 mt -56.21 -37.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.57 -49.91 44.33 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.634 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 42' ' ' THR . 4.4 mm? -57.76 -41.46 81.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.415 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.652 HD22 HD11 ' B' ' 44' ' ' ILE . 62.0 mt -55.45 -50.01 70.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 0.0 110.111 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.587 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 8.5 mtpm? -82.98 42.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.566 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.862 0.363 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.698 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 65.4 mt-30 -146.37 -178.41 6.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.494 HG21 ' O ' ' B' ' 2' ' ' GLN . 27.6 pt -147.83 130.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -88.2 118.21 27.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.415 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.77 96.04 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.252 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.5 tttt -90.97 130.05 36.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.705 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.523 ' HG1' ' H ' ' B' ' 11' ' ' LYS . 81.4 p -93.55 147.95 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.273 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.814 HD12 HG11 ' B' ' 70' ' ' VAL . 52.5 mt -50.57 -38.58 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -60.67 -57.82 11.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.401 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.01 53.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.584 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.523 ' H ' ' HG1' ' B' ' 7' ' ' THR . 86.8 tttt -138.74 126.36 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.032 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -103.41 138.19 40.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.274 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.76 93.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.523 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.579 HG22 ' N ' ' B' ' 15' ' ' LEU . 91.4 m -73.07 143.74 47.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.425 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.579 ' N ' HG22 ' B' ' 14' ' ' THR . 9.4 mt -145.68 136.24 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.698 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 43.8 tt0 -75.5 131.59 40.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.644 HG13 ' HZ1' ' B' ' 29' ' ' LYS . 26.2 m -151.58 135.97 9.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.375 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' B' ' 20' ' ' SER . 43.5 tp10 -70.72 149.17 47.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.98 -40.83 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.457 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 53.1 m -82.18 49.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 8.6 t70 -120.22 124.22 45.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.125 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.9 t -71.12 143.46 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.85 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.576 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.9 mm -51.79 -41.64 30.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.538 ' HB2' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -54.65 -45.86 73.9 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -43.21 81.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.74 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.1 t -59.21 -38.76 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.088 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.577 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.091 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -59.74 -46.35 89.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.644 ' HZ1' HG13 ' B' ' 17' ' ' VAL . 55.0 mtpt -59.55 -43.61 93.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 68.3 mt -58.15 -41.09 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tp60 -58.25 -47.05 84.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.758 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -62.91 -35.95 81.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -68.84 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.165 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -81.07 -38.49 27.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.04 37.68 11.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.007 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -101.36 133.3 20.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.428 0.156 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.9 Cg_endo -52.17 141.77 47.53 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.704 2.27 . . . . 0.0 112.159 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.29 -42.73 62.98 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.841 2.361 . . . . 0.0 112.837 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.97 -44.05 94.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.981 0.419 . . . . 0.0 110.775 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -67.42 -58.67 4.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.436 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.1 pt20 -69.32 139.44 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 111.796 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.65 110.85 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.273 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.0 mm? -83.95 110.43 18.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.45 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 47' ' ' LEU . 77.2 mt -98.24 142.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 47' ' ' GLY . 34.6 t80 -163.2 146.18 10.43 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.52 -32.97 0.25 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.721 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 164.1 -17.19 0.11 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.505 ' HA ' HD21 ' A' ' 47' ' ' LEU . 22.9 pttm -158.95 165.41 34.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.394 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -53.31 134.37 39.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 45' ' ' PHE . 71.2 mt -70.27 135.74 49.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.58 132.26 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.66 142.37 57.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.538 ' H ' ' HB2' ' B' ' 24' ' ' ASP . . . 93.83 -31.59 6.44 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.942 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.576 ' O ' HG12 ' B' ' 23' ' ' ILE . 12.2 mmp_? -64.7 134.7 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.376 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -75.88 151.74 37.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 83.0 mt -53.37 -40.28 64.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.8 p -55.31 -32.98 62.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.265 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.86 -53.89 51.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.344 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.554 ' HB2' HG13 ' B' ' 61' ' ' ILE . 21.8 m-85 -83.45 16.46 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 49.3 34.25 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' B' ' 59' ' ' TYR . 68.2 mt -71.77 123.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.439 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.4 pm0 -84.02 -155.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -96.94 148.41 22.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.03 42.73 15.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -73.75 -152.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.1 m -162.63 131.67 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.1 133.8 55.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.324 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.703 ' HD1' ' HB2' ' A' ' 19' ' ' MET . 33.3 m170 -93.85 109.76 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.495 HD11 HD13 ' B' ' 43' ' ' LEU . 64.2 tp -76.23 137.34 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.199 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.814 HG11 HD12 ' B' ' 8' ' ' LEU . 57.4 t -140.62 129.87 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.934 0.397 . . . . 0.0 111.286 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.424 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.9 mp -85.91 141.65 29.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.857 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.498 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.961 0.41 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.597 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -81.58 -22.98 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.0 pt-20 -49.86 -34.66 20.67 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.754 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.489 ' O ' HD12 ' A' ' 15' ' ' ILE . 88.5 p -58.88 -48.98 79.5 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.597 ' NZ ' ' HA ' ' A' ' 9' ' ' HIS . 38.7 mtmm -59.98 -38.29 82.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.304 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.89 -38.88 87.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.702 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -59.22 -47.84 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.647 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.646 HG23 HD21 ' B' ' 8' ' ' LEU . 1.7 mp -57.66 -40.23 74.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.114 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.591 HD21 ' HE2' ' A' ' 20' ' ' PHE . 77.3 mt -60.24 -42.03 94.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.821 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 81.7 mtp -61.9 -50.94 70.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.558 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -67.55 -44.33 78.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.611 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 56.8 ttm -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.206 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.619 ' HZ ' HG22 ' A' ' 43' ' ' ILE . 26.8 m-85 -102.03 98.13 9.57 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.44 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 19' ' ' MET . 90.8 Cg_endo -80.16 50.77 3.65 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.613 2.208 . . . . 0.0 112.955 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.98 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 27' ' ' LYS . 63.3 mt -59.92 134.05 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.287 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 t -65.94 144.3 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 60.0 mtpt -55.1 -44.88 75.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -56.7 -44.8 81.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.098 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD2' HG23 ' A' ' 23' ' ' ILE . 25.1 ttmm -61.25 -48.99 78.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.073 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD21 HG22 ' A' ' 23' ' ' ILE . 97.3 mt -56.75 -41.29 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.933 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -63.06 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.94 -51.53 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -60.93 -41.31 95.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 37' ' ' ASN . 53.4 tp -60.38 -43.67 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.17 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.1 mt -63.41 -47.86 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.401 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 -44.35 91.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m120 -77.29 34.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 45.87 38.03 4.07 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.599 ' HA ' HD12 ' A' ' 32' ' ' LEU . 76.3 m-20 57.92 42.77 22.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.037 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.79 128.38 49.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 0.0 111.025 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.512 HD12 HD13 ' B' ' 8' ' ' LEU . 87.0 mt -79.35 -48.97 13.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.624 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.8 -39.03 90.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.902 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.88 -55.76 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.679 0.276 . . . . 0.0 111.041 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.56 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 63.2 m -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.619 HG22 ' HZ ' ' A' ' 20' ' ' PHE . 68.0 mt -60.79 -42.55 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.33 -45.43 52.72 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.972 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.13 -40.78 82.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 42' ' ' THR . 94.5 mt -60.91 -29.27 69.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.64 HD12 HD11 ' B' ' 44' ' ' ILE . 76.5 mt -63.52 -46.84 84.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.271 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -77.18 30.13 0.14 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 178.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HG3' ' OG ' ' B' ' 19' ' ' SER . 1.5 tmt? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.426 ' O ' HG22 ' B' ' 3' ' ' ILE . 23.5 mt-30 -125.55 166.52 16.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.561 HG12 ' HB ' ' B' ' 17' ' ' VAL . 12.2 pt -142.97 132.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.015 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -81.88 150.58 27.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.708 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.651 HG22 HD11 ' B' ' 15' ' ' LEU . 45.7 t -137.36 78.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.661 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 86.2 tttt -80.14 116.81 20.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.644 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 t -80.12 141.95 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 15' ' ' ILE . 36.2 mt -49.43 -34.88 17.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.757 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -51.44 -55.0 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.549 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.55 54.36 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.968 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' B' ' 11' ' ' LYS . 7.5 tmtm? -162.13 118.54 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.852 0.358 . . . . 0.0 110.799 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.661 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 54.7 m -85.87 134.24 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.7 mt -124.38 109.9 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 111.45 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.597 HG23 ' N ' ' B' ' 15' ' ' LEU . 86.4 m -83.02 145.93 29.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.643 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.664 HD12 ' HZ2' ' B' ' 33' ' ' LYS . 14.0 mt -146.28 143.85 29.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.609 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' HG22 ' B' ' 17' ' ' VAL . 18.7 tp10 -74.55 125.16 28.02 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.561 ' HB ' HG12 ' B' ' 3' ' ' ILE . 25.4 t -150.46 132.67 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 0.0 111.842 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.23 141.8 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.233 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' B' ' 1' ' ' MET . 36.1 m -59.74 -30.38 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 m -102.24 31.14 4.12 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.749 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.471 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 35.4 t70 -79.33 -128.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.457 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 6.8 t -175.03 140.46 0.53 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.66 0.267 . . . . 0.0 110.729 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.618 HD11 HD12 ' B' ' 50' ' ' LEU . 32.4 mm -51.99 -37.91 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 8.1 t70 -58.03 -47.1 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.471 ' HB3' ' OD2' ' B' ' 21' ' ' ASP . 49.4 t30 -59.88 -42.44 93.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.741 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.534 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.46 -47.55 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.12 -41.15 96.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.428 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -58.41 -45.07 89.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.563 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.54 -40.43 96.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.346 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.5 mt -60.15 -42.48 90.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.438 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.7 tp60 -62.02 -51.57 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.42 -38.92 85.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.403 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.708 ' HE3' ' HG3' ' B' ' 34' ' ' GLU . 36.3 ttpt -73.68 -76.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.27 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.708 ' HG3' ' HE3' ' B' ' 33' ' ' LYS . 49.9 mt-10 -69.03 -35.84 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.43 37.32 31.66 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.177 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.468 HD12 ' OE1' ' B' ' 34' ' ' GLU . 63.8 mt -91.97 133.81 29.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.129 . . . . 0.0 110.771 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 7.3 Cg_endo -50.86 133.46 39.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' B' ' 40' ' ' GLN . 46.6 Cg_exo -56.13 -41.15 79.78 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.314 2.01 . . . . 0.0 111.691 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.92 33.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.694 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 36.6 tt0 -161.29 31.6 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.009 0.433 . . . . 0.0 110.724 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -166.26 139.81 4.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.728 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.555 ' HB2' HE21 ' B' ' 49' ' ' GLN . 3.9 ptp85 -154.74 134.33 12.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.334 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -87.01 125.56 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.667 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.64 HD11 HD12 ' A' ' 47' ' ' LEU . 88.5 mt -117.2 141.33 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.484 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.499 ' N ' HG21 ' B' ' 44' ' ' ILE . 21.5 t80 -158.24 150.46 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.652 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.95 31.42 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.66 32.38 74.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.616 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' B' ' 48' ' ' LYS . 6.4 ttpm? -172.71 142.48 1.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.231 0.515 . . . . 0.0 111.816 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.555 HE21 ' HB2' ' B' ' 42' ' ' ARG . 49.3 tt0 -56.37 131.57 48.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.757 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.618 HD12 HD11 ' B' ' 23' ' ' ILE . 85.1 mt -82.61 129.73 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.46 133.06 49.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.522 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.24 -41.56 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 43.7 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.83 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.55 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.9 mmt-85 -146.98 132.9 19.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.897 0.379 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -74.18 155.29 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' B' ' 61' ' ' ILE . 93.3 mt -53.06 -41.11 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.938 0.399 . . . . 0.0 110.83 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -58.6 -31.38 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.02 -56.34 14.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.459 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.432 ' HB2' HG13 ' B' ' 61' ' ' ILE . 54.9 m-85 -82.64 26.04 0.6 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 49.37 33.08 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' B' ' 56' ' ' LEU . 63.9 mt -66.81 126.24 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.992 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -74.97 -138.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.782 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -120.71 142.38 49.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 61.32 40.41 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -69.53 139.11 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 75.4 m -88.41 87.25 7.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.535 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.523 ' N ' HD13 ' B' ' 67' ' ' LEU . 6.7 mp -85.91 134.06 33.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.128 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.557 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 37.3 m170 -89.13 120.08 30.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' B' ' 5' ' ' VAL . 64.7 tp -83.56 81.07 8.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.442 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.564 ' CG2' HD13 ' B' ' 44' ' ' ILE . 83.1 t -71.91 122.42 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.891 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.72 137.39 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.517 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.694 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 51.7 ttt-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.632 0.253 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -69.96 -22.86 63.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.482 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 46.7 mt-10 -50.22 -37.46 35.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -60.5 -45.21 94.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 25.7 mmtp -59.42 -39.12 82.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.861 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.5 tp -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.898 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 m -58.66 -47.15 85.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.542 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.855 HG21 ' HG ' ' B' ' 8' ' ' LEU . 1.7 mp -57.75 -40.29 74.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.005 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 31' ' ' HIS . 93.5 mt -60.64 -42.11 96.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.1 mtt -63.24 -53.94 45.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.473 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 8.4 t70 -65.59 -44.43 86.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.398 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.622 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 57.9 ttm -60.43 -45.5 93.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.147 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.593 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 33.3 m-85 -106.59 89.93 4.57 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.23 51.32 3.65 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.701 2.267 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.81 -39.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.787 HG22 ' HD2' ' A' ' 27' ' ' LYS . 66.4 mt -63.32 133.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -65.3 145.95 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.84 -42.38 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' HG21 ' A' ' 30' ' ' VAL . 52.8 m -59.13 -48.52 81.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.141 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.787 ' HD2' HG22 ' A' ' 23' ' ' ILE . 4.9 ttmp? -57.84 -43.09 85.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.098 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.77 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -60.1 -46.55 89.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.62 -40.24 96.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 87.9 t -63.62 -56.87 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.77 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 6.3 p80 -60.86 -42.05 97.08 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.424 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 53.4 tp -57.84 -48.71 78.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.351 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.52 -47.21 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 57.0 mt-10 -53.94 -45.52 71.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 1.7 m120 -64.73 -76.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.14 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER 171.08 36.04 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.117 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.17 38.74 30.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.81 138.24 47.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.701 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD12 HD21 ' B' ' 8' ' ' LEU . 86.6 mt -85.46 -56.52 3.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.77 -42.54 71.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.71 -60.51 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.317 . . . . 0.0 111.516 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.57 HG22 ' HD1' ' A' ' 31' ' ' HIS . 21.5 m -57.46 -55.12 38.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.261 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.593 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 80.8 mt -57.77 -41.85 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -46.88 60.01 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.859 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.56 -38.82 84.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.275 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.9 mt -60.28 -38.23 82.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.05 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.715 HD13 HH21 ' B' ' 42' ' ' ARG . 48.2 mt -48.66 -47.42 40.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.882 0.373 . . . . 0.0 111.138 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -69.26 -39.37 78.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.236 -179.379 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.605 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.9 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.044 0.45 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.453 ' O ' HG23 ' B' ' 3' ' ' ILE . 23.6 mt-30 -69.41 157.99 35.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.238 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.68 HD13 HG21 ' B' ' 17' ' ' VAL . 29.4 pt -148.1 130.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.556 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -77.1 142.18 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.478 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.425 HG13 HD12 ' B' ' 30' ' ' ILE . 49.6 t -129.61 80.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.988 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 63.6 tttp -77.08 135.31 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.522 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.515 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 82.5 p -101.22 137.21 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.855 ' HG ' HG21 ' A' ' 15' ' ' ILE . 10.3 mp -52.11 -34.56 44.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.695 0.283 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -58.74 -53.71 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.44 57.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.815 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.515 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 84.1 tttt -160.59 122.93 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.1 m -103.03 138.71 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.784 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.855 HG23 HD22 ' B' ' 15' ' ' LEU . 57.1 mt -131.76 126.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 111.206 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.428 ' C ' HD21 ' B' ' 15' ' ' LEU . 88.5 m -93.91 133.96 36.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.474 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.855 HD22 HG23 ' B' ' 13' ' ' ILE . 3.3 mm? -134.36 142.73 47.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.443 ' O ' HG13 ' B' ' 17' ' ' VAL . 38.9 tt0 -94.57 129.62 41.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.541 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.68 HG21 HD13 ' B' ' 3' ' ' ILE . 22.2 m -149.43 136.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.976 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.453 ' HG2' ' H ' ' B' ' 20' ' ' SER . 39.6 tt0 -66.43 150.84 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.9 p -54.08 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.793 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.453 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 38.6 t -90.73 33.07 0.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.46 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' B' ' 22' ' ' THR . 27.9 t70 -83.67 -141.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.472 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.0 t -166.08 144.36 5.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.929 0.395 . . . . 0.0 111.038 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.507 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.6 mm -50.97 -40.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.158 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.06 -43.86 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.311 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.08 -44.95 91.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.911 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.414 HG23 HG12 ' B' ' 17' ' ' VAL . 45.4 t -59.39 -45.1 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.583 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.22 88.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -59.54 -46.15 89.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.097 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -58.7 -47.8 83.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.433 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.425 HD12 HG13 ' B' ' 5' ' ' VAL . 80.5 mt -62.1 -36.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.4 tt0 -60.3 -44.19 95.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.14 -44.24 72.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.546 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.591 ' NZ ' ' HB3' ' B' ' 33' ' ' LYS . 7.1 mtpm? -65.89 -62.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.32 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.086 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 79.51 37.98 22.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.849 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -110.11 134.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.03 144.54 56.95 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.561 2.174 . . . . 0.0 111.976 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.2 Cg_endo -53.36 -40.51 77.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.753 2.302 . . . . 0.0 112.41 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.402 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 35.2 t70 -67.02 -40.98 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.773 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -79.09 35.44 0.26 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.257 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.555 ' HB2' HD13 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -166.66 146.37 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.935 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.715 HH21 HD13 ' A' ' 47' ' ' LEU . 40.1 mtp180 -143.81 123.47 13.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 69.2 mt -90.85 83.21 5.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.655 HD12 HG23 ' B' ' 70' ' ' VAL . 79.5 mt -81.67 137.54 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.723 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.53 ' C ' ' H ' ' B' ' 47' ' ' GLY . 27.5 t80 -161.31 144.61 12.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.878 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.11 -31.54 0.19 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.187 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 174.66 -24.39 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.052 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.565 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -165.37 167.79 17.4 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.931 0.396 . . . . 0.0 111.684 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 2.9 pt20 -53.08 129.93 32.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.202 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.643 HD11 HD22 ' B' ' 67' ' ' LEU . 50.4 mt -76.24 139.53 41.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.629 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.54 134.56 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -76.37 46.35 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.678 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.34 47.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.408 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.507 ' O ' HG12 ' B' ' 23' ' ' ILE . 27.1 mmm180 -145.63 133.28 20.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -63.9 148.75 48.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.663 HD13 HG22 ' B' ' 17' ' ' VAL . 90.1 mt -51.6 -37.45 50.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -55.22 -36.22 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.867 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.41 -56.57 15.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.561 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.452 ' CE2' HD23 ' B' ' 50' ' ' LEU . 50.7 m-85 -82.46 11.43 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.619 0.247 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 50.3 38.52 17.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.545 HD11 HD22 ' B' ' 56' ' ' LEU . 71.7 mt -63.64 128.9 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.422 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.623 ' H ' ' NE2' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -80.75 147.75 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.744 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -63.12 138.21 58.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 65.03 39.25 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.897 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -80.3 -148.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.66 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 130.98 4.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.643 HD22 HD11 ' B' ' 50' ' ' LEU . 6.6 mp -123.41 144.43 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.624 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.622 ' ND1' ' HB2' ' A' ' 19' ' ' MET . 36.3 m170 -97.02 128.7 44.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.174 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' B' ' 41' ' ' GLN . 63.8 tp -103.26 96.62 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.655 HG23 HD12 ' B' ' 44' ' ' ILE . 45.8 t -74.29 134.21 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.601 ' HG ' ' HG3' ' B' ' 72' ' ' ARG . 62.9 tp -72.13 124.68 25.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.635 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.773 ' HA ' ' HA ' ' B' ' 40' ' ' GLN . 95.9 mtt180 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 121.487 0.661 . . . . 0.0 112.061 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.707 0.289 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -71.1 -23.47 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 109.942 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 57.2 mm-40 -50.1 -35.61 26.26 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -59.73 -48.39 81.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.581 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -58.14 -40.28 80.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 178.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 17' ' ' MET . 45.6 tp -62.89 -40.15 96.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.798 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -59.31 -46.55 88.28 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.728 HG21 HD23 ' B' ' 8' ' ' LEU . 1.8 mp -57.43 -41.99 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD11 ' HE1' ' A' ' 31' ' ' HIS . 87.5 mt -59.58 -41.42 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 60.2 mtt -61.88 -55.78 26.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.429 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.567 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 63.3 t0 -65.22 -42.86 93.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.342 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.715 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 55.2 ttm -59.47 -42.07 91.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 49.6 m-85 -113.85 76.97 3.39 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 73.9 Cg_endo -74.33 51.64 2.58 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.745 2.297 . . . . 0.0 112.562 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.2 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.141 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 27' ' ' LYS . 60.0 mt -64.69 135.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -60.39 139.66 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -56.06 -34.27 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -53.15 -50.2 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HD3' HG22 ' A' ' 23' ' ' ILE . 63.5 tttp -60.48 -44.44 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.266 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.3 mt -60.34 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.04 -40.91 91.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.226 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.4 t -61.83 -55.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.106 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.718 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.9 p80 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.346 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 37' ' ' ASN . 45.0 tp -58.24 -47.63 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.38 -48.94 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.14 -47.44 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.87 40.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 43.75 47.06 6.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.644 ' HA ' HD12 ' A' ' 32' ' ' LEU . 12.0 p-10 41.56 39.8 1.2 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.572 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.3 140.82 32.25 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.606 0.241 . . . . 0.0 110.622 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.6 HD12 HD12 ' B' ' 8' ' ' LEU . 87.8 mt -98.0 -55.19 2.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.33 -47.24 85.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.42 -56.21 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.577 HG23 ' ND1' ' A' ' 31' ' ' HIS . 56.3 m -56.77 -55.42 34.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 77.4 mt -64.0 -41.41 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.16 -48.96 31.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.7 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.46 -40.47 85.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.503 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 20' ' ' PHE . 13.6 tp -57.38 -37.88 73.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.807 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD22 ' HA ' ' B' ' 48' ' ' LYS . 35.9 mt -61.91 -46.99 86.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.039 0.447 . . . . 0.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -81.35 41.71 0.63 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.46 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.321 0.582 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 25.8 mt-30 -69.86 167.52 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.69 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.613 HD13 HG22 ' B' ' 17' ' ' VAL . 33.5 pt -149.27 135.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 4.3 m-85 -82.73 144.87 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.639 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.83 78.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.88 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 86.2 tttt -73.65 125.65 28.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.887 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -84.23 145.9 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.903 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.728 HD23 HG21 ' A' ' 15' ' ' ILE . 37.9 mt -50.09 -36.98 31.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.751 0.31 . . . . 0.0 110.636 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -62.38 -54.36 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.92 -40.82 0.35 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.125 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -55.18 130.98 44.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.581 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 90.3 m -113.65 133.93 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.684 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -116.51 128.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 111.587 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -99.84 136.22 40.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -144.77 138.15 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.458 . . . . 0.0 111.136 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 89.0 tt0 -86.12 134.05 33.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.613 HG22 HD13 ' B' ' 3' ' ' ILE . 28.9 m -150.43 134.26 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.581 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 88.3 tt0 -67.44 145.66 54.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.5 m -77.29 42.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.192 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -160.44 40.45 0.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.4 m-20 -121.56 -121.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.705 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.492 ' HG1' ' HA2' ' B' ' 53' ' ' GLY . 8.0 t -167.46 145.78 4.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 111.183 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.402 HD13 HG23 ' B' ' 23' ' ' ILE . 45.8 mm -51.45 -37.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -55.78 -42.12 75.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.26 -45.16 84.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.301 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.552 HG21 HG12 ' B' ' 17' ' ' VAL . 59.8 t -59.83 -46.03 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.461 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' B' ' 31' ' ' GLN . 97.1 mttt -57.69 -44.45 85.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.398 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -58.14 -44.05 87.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.508 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 54.5 mtpt -59.56 -41.21 89.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.4 mt -60.65 -43.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 27' ' ' LYS . 15.7 mt-30 -58.05 -54.51 46.12 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.633 0.73 . . . . 0.0 110.531 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.01 -38.13 78.51 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -73.09 -76.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.029 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.18 -42.44 96.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.784 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.13 57.74 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.343 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.57 HG21 HE21 ' B' ' 40' ' ' GLN . 76.7 mt -143.39 130.21 10.54 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.539 0.209 . . . . 0.0 111.143 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.673 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 18.4 Cg_endo -59.12 143.13 99.9 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.547 2.165 . . . . 0.0 112.213 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.49 -32.38 93.59 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.97 2.446 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.44 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 8.4 t70 -55.77 -47.44 77.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.845 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.673 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 19.6 pt20 -89.52 38.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.586 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 3.1 pt20 -167.96 137.2 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 111.0 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' B' ' 41' ' ' GLN . 23.5 mmm180 -134.16 124.78 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.291 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 6.8 mp -84.55 121.36 27.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.145 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.573 HD13 HG21 ' A' ' 43' ' ' ILE . 72.8 mt -108.4 142.64 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.223 0.535 . . . . 0.0 111.911 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.499 ' HB2' ' HG ' ' B' ' 67' ' ' LEU . 29.5 t80 -152.9 145.77 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.191 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.562 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.98 -65.27 0.3 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.594 0.559 . . . . 0.0 110.884 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.26 17.23 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.707 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.797 ' HA ' HD22 ' A' ' 47' ' ' LEU . 24.2 pttm -173.72 156.71 2.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.901 0.381 . . . . 0.0 111.23 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 47' ' ' LEU . 3.2 pt20 -58.48 126.41 27.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.48 137.02 49.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.041 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.93 139.23 56.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 2.3 p30 -77.88 46.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.492 ' HA2' ' HG1' ' B' ' 22' ' ' THR . . . 179.96 50.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -145.75 135.52 23.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.908 0.385 . . . . 0.0 111.333 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.454 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.2 p -65.34 153.65 40.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.383 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.547 HD23 HD11 ' B' ' 61' ' ' ILE . 94.0 mt -55.61 -41.72 73.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -59.28 -29.19 67.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.729 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -52.26 -57.31 10.1 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.671 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.88 22.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.59 0.233 . . . . 0.0 111.068 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.416 ' N ' HD21 ' B' ' 60' ' ' ASN . 2.6 m120 49.37 38.11 13.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.0 110.34 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.547 HD11 HD23 ' B' ' 56' ' ' LEU . 66.6 mt -62.3 127.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.848 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' B' ' 65' ' ' SER . 3.2 mm100 -84.97 156.55 21.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.325 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 14.8 ptmm? -53.17 146.29 11.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 24.7 pt-20 45.36 40.66 5.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.799 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.9 t -71.17 138.5 49.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.2 m -86.18 130.76 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.077 0.465 . . . . 0.0 112.065 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 8.2 mp -123.41 135.5 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.941 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.715 ' HD1' ' HB2' ' A' ' 19' ' ' MET . 35.8 m170 -91.79 116.17 28.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.007 0.432 . . . . 0.0 111.98 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -84.97 128.78 34.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.485 HG21 HD12 ' B' ' 44' ' ' ILE . 49.7 t -114.91 118.76 59.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.471 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.532 HD13 ' O ' ' B' ' 40' ' ' GLN . 54.0 tp -89.46 127.83 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.583 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' B' ' 72' ' ' ARG . 45.8 mtp85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.52 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.42 -23.59 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.054 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -50.66 -34.75 27.65 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.319 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 15' ' ' ILE . 48.2 t -59.46 -49.28 78.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 67.8 mttm -63.74 -37.53 87.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.451 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -41.38 95.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.255 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -61.42 -42.23 98.41 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.7 mm -55.5 -41.44 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 28' ' ' LEU . 81.7 mt -62.51 -42.38 99.47 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.815 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -54.82 -52.3 63.12 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.005 0.431 . . . . 0.0 110.025 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' HE2' ' B' ' 68' ' ' HIS . 1.3 m-20 -71.33 -29.32 64.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.603 ' HE2' ' HB3' ' B' ' 68' ' ' HIS . 57.6 tpp -63.8 -39.01 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.664 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -130.78 111.97 16.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.337 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.9 -41.86 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.311 2.008 . . . . 0.0 112.374 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.78 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.0 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 ' HD3' ' A' ' 27' ' ' LYS . 59.3 mt -64.52 132.03 30.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.983 0.421 . . . . 0.0 111.615 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.9 p -71.52 146.84 48.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.73 -40.48 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.6 p -58.65 -47.41 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HD3' HG21 ' A' ' 23' ' ' ILE . 61.9 tttm -59.01 -48.76 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.581 ' HG ' HG22 ' A' ' 23' ' ' ILE . 85.7 mt -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -62.65 -41.28 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.289 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 61.8 t -60.16 -49.67 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 93.4 m-70 -59.61 -45.16 92.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.242 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' A' ' 37' ' ' ASN . 39.5 tp -58.69 -39.8 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.5 -40.56 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.972 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 50.6 mt-10 -51.42 -63.23 1.2 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 75.5 m-80 -63.05 -63.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 110.467 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 50.8 t30 172.47 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.026 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.727 ' HA ' HD11 ' A' ' 32' ' ' LEU . 20.9 p30 173.43 33.01 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.558 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.92 140.12 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 12' ' ' LYS . 74.8 mt -91.26 -50.58 5.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.16 -40.39 89.73 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.442 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.42 -58.01 4.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.454 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.403 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 87.4 m -56.05 -53.3 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 66.4 mt -62.14 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.41 -42.52 57.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.216 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 -46.86 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.901 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mt -61.17 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.109 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.653 HD21 ' HA ' ' B' ' 48' ' ' LYS . 86.0 mt -55.02 -41.24 71.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 87.2 tttt -82.08 39.54 0.58 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 86.7 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.0 mt-30 -77.37 147.07 36.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.528 HD13 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -137.3 138.01 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -79.51 145.76 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.641 HG21 HD23 ' B' ' 15' ' ' LEU . 60.2 t -131.86 97.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 28.4 mtpp -78.23 139.5 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.565 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 74.6 p -93.54 145.9 24.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.553 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' B' ' 70' ' ' VAL . 45.1 tp -50.48 -35.88 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -70.53 -61.98 1.56 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.89 65.78 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.148 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -159.52 125.36 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 111.233 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -87.89 142.18 28.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.648 HG23 HD22 ' B' ' 15' ' ' LEU . 59.0 mt -132.05 118.6 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.38 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.441 ' C ' HD21 ' B' ' 15' ' ' LEU . 55.4 m -84.12 132.09 34.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.535 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.648 HD22 HG23 ' B' ' 13' ' ' ILE . 3.8 mm? -131.04 153.15 49.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.605 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.457 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 5.6 tp10 -107.27 124.28 49.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.528 HG22 HD13 ' B' ' 3' ' ' ILE . 31.2 m -150.56 133.4 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.04 0.448 . . . . 0.0 111.604 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.556 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 42.2 tp10 -67.87 150.82 48.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.569 ' HA ' HD11 ' B' ' 56' ' ' LEU . 37.0 t -77.15 41.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -163.53 32.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.963 0.411 . . . . 0.0 110.946 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.556 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.2 m-20 -98.2 -122.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.532 HG22 ' HB2' ' B' ' 25' ' ' ASN . 6.1 t -169.09 147.46 3.85 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.576 0.227 . . . . 0.0 110.94 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 54' ' ' ARG . 44.8 mm -51.18 -43.88 28.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 8.0 t70 -55.16 -39.91 70.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.275 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.532 ' HB2' HG22 ' B' ' 22' ' ' THR . 25.5 t-20 -56.75 -44.67 81.96 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.955 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.39 -39.26 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.641 ' HD3' HD13 ' B' ' 43' ' ' LEU . 48.7 mmtm -57.95 -47.1 83.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.792 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.566 ' HA ' ' NE2' ' B' ' 31' ' ' GLN . 50.1 m -63.18 -43.29 98.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.754 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.2 mtpm? -62.36 -44.58 96.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.375 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.27 -50.48 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.627 ' HG3' ' H ' ' B' ' 32' ' ' ASP . 20.3 pt20 -61.24 -54.97 37.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.909 0.385 . . . . 0.0 111.631 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.627 ' H ' ' HG3' ' B' ' 31' ' ' GLN . 64.0 t0 -54.85 -40.57 69.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.83 -69.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 112.027 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.67 -54.53 13.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.841 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.32 61.94 0.34 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.374 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.9 132.96 18.52 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-N 116.789 0.294 . . . . 0.0 111.317 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 54.2 Cg_exo -52.03 137.31 53.45 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.439 2.093 . . . . 0.0 112.026 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.83 -44.29 31.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.701 2.267 . . . . 0.0 112.822 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.482 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 35.4 p-10 -64.4 -40.05 95.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.794 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 26.4 mt-30 -72.98 -46.86 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.2 pt20 -63.49 134.71 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.623 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.491 ' HE ' ' HB3' ' B' ' 49' ' ' GLN . 79.2 ttt180 -134.42 114.22 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.506 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.664 HD11 ' N ' ' B' ' 43' ' ' LEU . 8.7 mp -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.381 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.606 HG12 HD22 ' A' ' 47' ' ' LEU . 91.2 mt -100.73 142.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.841 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' N ' HG21 ' B' ' 44' ' ' ILE . 36.0 t80 -164.36 141.01 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.785 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.2 33.59 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.27 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.11 72.52 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.838 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.653 ' HA ' HD21 ' A' ' 47' ' ' LEU . 38.1 ttpt -173.14 144.56 1.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.304 0.552 . . . . 0.0 111.912 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -58.4 137.13 57.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.003 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.516 HD13 HD12 ' B' ' 23' ' ' ILE . 83.3 mt -75.78 130.84 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.785 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.468 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 51.6 mt-10 -66.86 136.09 54.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -66.17 138.9 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.655 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.493 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 77.55 41.32 20.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.126 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.573 ' O ' HG12 ' B' ' 23' ' ' ILE . 38.7 mmt180 -127.29 132.81 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 0.0 111.039 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -68.37 145.65 53.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' B' ' 19' ' ' SER . 88.6 mt -54.44 -40.96 68.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -59.76 -32.48 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.419 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.88 -54.84 32.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.273 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.455 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.0 m-85 -82.7 20.76 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.822 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 49.49 34.14 6.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.5 mt -69.18 126.43 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.1 -155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.09 145.07 29.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 88.7 mt-10 60.1 40.32 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 -151.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 88.1 m -158.64 128.96 5.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.73 134.96 53.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.603 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 34.0 m-70 -95.81 127.67 42.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 111.74 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' B' ' 41' ' ' GLN . 68.7 tp -95.67 126.97 41.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.895 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' B' ' 8' ' ' LEU . 70.2 t -141.27 133.49 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.106 0.479 . . . . 0.0 111.157 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' B' ' 40' ' ' GLN . 59.5 tp -75.51 133.93 40.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.328 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 99.7 mtt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.691 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.487 ' ND1' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.12 -23.81 63.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.457 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 14.9 pt-20 -50.66 -38.63 47.56 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.637 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -58.32 -47.93 82.16 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 62.3 mttp -60.97 -38.21 85.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.361 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD21 ' HD2' ' A' ' 25' ' ' LYS . 62.0 tp -60.09 -39.26 85.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -59.4 -46.25 89.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.293 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.563 HG22 ' SD ' ' A' ' 19' ' ' MET . 7.0 mm -56.34 -42.82 75.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HB3' HD13 ' A' ' 28' ' ' LEU . 96.7 mt -58.68 -41.51 86.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.42 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.559 ' SD ' ' HD3' ' A' ' 25' ' ' LYS . 75.4 mtm -62.08 -51.37 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.4 t70 -67.71 -36.28 80.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.094 0.473 . . . . 0.0 110.483 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.634 ' HG3' ' HD1' ' B' ' 68' ' ' HIS . 6.9 mtt -69.2 -33.14 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.509 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -136.79 64.92 52.0 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 71.4 Cg_exo -49.83 -42.28 44.66 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.713 2.275 . . . . 0.0 112.584 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.91 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.484 HG21 ' HG ' ' A' ' 28' ' ' LEU . 72.5 mt -68.97 134.26 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -65.2 140.95 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HD3' ' SD ' ' A' ' 17' ' ' MET . 25.7 ttpp -56.26 -37.56 69.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -55.65 -48.35 75.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.576 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.9 ttmp? -61.03 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 16' ' ' LEU . 85.8 mt -57.82 -40.05 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.62 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 52.0 tt0 -62.91 -42.58 99.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 68.6 t -59.06 -49.26 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -60.36 -41.5 93.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD23 ' ND1' ' A' ' 9' ' ' HIS . 56.0 tp -61.14 -42.58 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 89.7 mt -62.74 -44.46 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 56.5 mt-10 -58.53 -54.5 46.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.263 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -81.1 36.71 0.42 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 64.48 -73.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.271 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 177.37 36.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -97.15 130.13 44.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 43' ' ' ILE . 68.6 mt -79.59 -43.51 22.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.001 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.24 -50.78 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 41' ' ' LEU . 94.8 mt -68.98 -57.6 5.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.438 HG23 HD21 ' A' ' 46' ' ' LEU . 91.8 m -55.94 -62.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.444 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 39' ' ' LEU . 63.2 mt -57.37 -40.17 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.96 -46.0 55.79 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.854 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.8 -39.04 76.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.808 0.337 . . . . 0.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 42' ' ' THR . 4.1 mm? -56.38 -39.04 72.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' B' ' 48' ' ' LYS . 47.3 mt -54.86 -49.34 71.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.844 0.354 . . . . 0.0 110.765 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -83.86 43.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.44 -179.8 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.879 0.371 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.65 140.69 56.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.739 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.597 HD12 HG23 ' B' ' 17' ' ' VAL . 35.7 pt -142.16 133.29 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.577 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.65 134.66 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.712 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.494 HG23 HD11 ' B' ' 30' ' ' ILE . 56.0 t -116.11 85.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 88.0 tttt -75.46 135.34 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.277 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -105.29 153.34 21.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.486 HD21 HG23 ' A' ' 15' ' ' ILE . 88.6 mt -49.95 -42.0 47.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -64.08 -61.34 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.15 59.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.54 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.442 ' HG2' HG12 ' B' ' 13' ' ' ILE . 24.1 ttmm -141.71 123.2 14.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.7 p -107.18 76.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.588 HG21 HD21 ' B' ' 15' ' ' LEU . 46.1 mm -69.81 123.47 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.0 m -91.09 134.93 34.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.588 HD21 HG21 ' B' ' 13' ' ' ILE . 3.6 mm? -133.48 145.27 50.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.442 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.64 126.5 44.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.774 HG11 HG21 ' B' ' 26' ' ' VAL . 28.1 m -152.63 140.53 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.418 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mp0 -65.76 144.66 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.364 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -57.67 -42.33 83.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.765 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -93.76 33.28 1.31 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 8.5 t0 -90.83 -123.74 0.07 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.377 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.411 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 9.4 t -166.45 141.86 4.53 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.9 mm -52.32 -41.53 34.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.38 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.09 -42.73 63.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -61.92 -41.66 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.774 HG21 HG11 ' B' ' 17' ' ' VAL . 60.3 t -57.56 -50.55 76.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.51 -36.45 80.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.02 -47.76 84.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.626 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 8.1 mtpm? -62.64 -45.06 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.494 HD11 HG23 ' B' ' 5' ' ' VAL . 72.1 mt -58.95 -41.57 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.44 -48.31 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -38.37 86.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.407 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.72 -72.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.491 ' OE2' HD13 ' B' ' 13' ' ' ILE . 61.1 mm-40 -74.3 -39.4 62.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.75 34.35 9.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.184 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -91.81 132.94 31.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.411 0.148 . . . . 0.0 111.014 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 53.2 Cg_exo -54.87 133.81 59.75 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.277 1.984 . . . . 0.0 112.03 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.57 -39.7 80.61 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 41' ' ' GLN . 8.6 t70 -67.85 -42.72 80.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -78.55 34.33 0.21 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.704 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.414 HE21 HD23 ' B' ' 69' ' ' LEU . 2.9 pt20 -162.59 136.99 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.651 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 1.0 OUTLIER -130.61 123.48 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 58.5 tp -79.12 129.0 34.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.578 HG12 HD21 ' A' ' 47' ' ' LEU . 96.1 mt -131.55 136.38 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.52 . . . . 0.0 111.326 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.419 ' CE2' HG12 ' B' ' 61' ' ' ILE . 22.4 t80 -157.79 151.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.195 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.458 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.66 -65.81 0.26 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.636 0.585 . . . . 0.0 110.724 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.04 23.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.329 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.749 ' HA ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -173.34 164.07 4.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.215 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 41.5 tt0 -64.8 128.54 36.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.578 HD11 HD23 ' B' ' 67' ' ' LEU . 76.2 mt -76.72 135.57 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.259 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.32 138.56 58.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.63 50.47 1.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.28 50.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.1 mmt180 -147.76 137.82 22.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.937 0.399 . . . . 0.0 111.176 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -63.38 151.4 41.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.856 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.01 -44.85 87.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.004 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -57.71 -29.01 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.701 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -53.95 -53.4 53.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.123 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.465 ' HB2' HG13 ' B' ' 61' ' ' ILE . 32.8 m-85 -83.78 17.77 2.2 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.577 0.227 . . . . 0.0 110.859 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 51.42 37.11 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 0.0 110.305 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.465 HG13 ' HB2' ' B' ' 59' ' ' TYR . 74.8 mt -64.08 126.72 23.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.409 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -87.44 146.63 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.843 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -49.6 141.4 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.041 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 60.94 38.06 17.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.746 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.5 p -68.53 142.25 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -96.06 87.26 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.697 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.578 HD23 HD11 ' B' ' 50' ' ' LEU . 9.0 mp -85.76 134.1 33.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.159 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.634 ' HD1' ' HG3' ' A' ' 19' ' ' MET . 34.3 m170 -96.32 130.37 43.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.414 HD23 HE21 ' B' ' 41' ' ' GLN . 66.2 tp -110.46 120.63 43.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.74 118.62 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.43 136.42 34.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.9 0.381 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.68 -23.93 58.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.97 -35.53 34.17 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -59.6 -46.0 90.24 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 109.505 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 3.6 mptp? -63.47 -40.25 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.24 -37.31 77.23 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.076 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' SER . 49.2 m -60.48 -45.13 94.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.49 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG23 HD12 ' B' ' 8' ' ' LEU . 10.1 mm -59.34 -39.01 77.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 28' ' ' LEU . 94.8 mt -59.48 -45.14 92.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.424 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 68.8 mtm -63.87 -49.21 73.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.698 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.52 -48.01 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.398 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 50.5 ttm -58.18 -45.01 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 17.6 m-85 -105.0 90.64 3.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.36 44.58 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.57 2.18 . . . . 0.0 112.568 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.6 41.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.588 HG21 ' HG ' ' A' ' 28' ' ' LEU . 77.8 mt -149.06 133.15 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.424 ' HG ' ' HZ1' ' A' ' 27' ' ' LYS . 84.4 p -62.55 138.73 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.7 -41.76 77.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -55.87 -46.96 78.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.8 ttmp? -59.63 -45.55 91.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HG ' HG21 ' A' ' 23' ' ' ILE . 96.8 mt -58.08 -42.35 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.22 -42.9 99.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 65.4 t -58.22 -52.11 62.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.0 -43.37 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.039 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 9' ' ' HIS . 56.9 tp -55.18 -47.47 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.554 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.82 -48.22 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 69.2 mm-40 -52.29 -46.3 65.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.685 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 73.5 m-80 -64.86 -78.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.36 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 15.9 p-10 166.96 38.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.296 0.373 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.75 50.47 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.75 128.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' HB3' HD11 ' A' ' 43' ' ' ILE . 61.2 mt -76.98 -42.92 36.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.698 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -54.2 -47.34 72.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.605 0.24 . . . . 0.0 111.196 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.49 -59.64 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.842 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 m -55.65 -63.75 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.289 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HB3' ' A' ' 39' ' ' LEU . 66.0 mt -52.3 -42.41 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.796 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -52.3 -41.38 54.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.301 -0.952 . . . . 0.0 110.79 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.36 -43.7 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.307 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.5 mm? -55.64 -45.21 77.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.233 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' B' ' 49' ' ' GLN . 48.4 mt -57.47 -47.14 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.121 0.486 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 60.5 pttt -88.11 42.21 1.05 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.82 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 4.3 tm-20 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.682 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.565 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 23.6 ptm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.445 ' C ' HG23 ' B' ' 3' ' ' ILE . 18.1 pt20 -85.48 144.91 27.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.495 HD11 HG13 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -128.82 138.76 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -83.36 145.88 28.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.579 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -140.61 92.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 39.9 ttpt -93.59 133.86 36.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.634 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -74.57 148.54 40.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.548 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.652 HD21 HG13 ' B' ' 70' ' ' VAL . 25.9 tp -48.27 -34.96 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -66.46 -58.76 4.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.34 64.67 0.01 OUTLIER Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 60.2 tttm -154.15 109.86 3.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.066 0.433 . . . . 0.0 111.369 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 41.4 p -80.92 142.4 33.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.592 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.472 HG23 HD22 ' B' ' 15' ' ' LEU . 48.9 mt -134.44 119.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.443 ' C ' HD22 ' B' ' 15' ' ' LEU . 74.2 m -90.73 133.75 34.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.792 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.473 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.7 mm? -133.84 148.58 51.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -96.07 122.45 38.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.464 HG13 HG23 ' B' ' 26' ' ' VAL . 26.7 m -152.84 138.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.968 0.413 . . . . 0.0 111.714 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.88 147.04 53.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.987 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.565 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 42.7 t -60.91 -40.47 93.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -87.89 29.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 22' ' ' THR . 45.0 t0 -91.36 -134.73 0.13 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.08 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.416 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 9.1 t -161.84 146.43 12.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.719 0.295 . . . . 0.0 111.262 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.8 mm -50.63 -40.19 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.193 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.25 -43.53 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.666 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.4 ' HB2' HG23 ' B' ' 22' ' ' THR . 2.0 m120 -66.07 -44.74 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.548 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.495 HG13 HD11 ' B' ' 3' ' ' ILE . 58.8 t -58.56 -53.57 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.646 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.503 ' NZ ' HG21 ' B' ' 23' ' ' ILE . 13.1 mptt -63.8 -28.46 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.573 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 46.3 t -60.96 -48.66 80.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.97 -42.61 98.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.566 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.473 HG12 ' HG ' ' B' ' 15' ' ' LEU . 67.9 mt -61.96 -34.72 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.145 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 70.4 tp60 -61.71 -49.12 77.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.49 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.88 -36.09 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.98 -68.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.087 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -80.07 -41.71 25.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.3 37.0 11.48 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.976 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.417 HG22 ' HD2' ' B' ' 37' ' ' PRO . 45.4 mm -95.01 132.11 28.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.43 0.157 . . . . 0.0 110.798 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -52.03 138.68 52.83 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.592 2.194 . . . . 0.0 112.271 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.65 -45.24 6.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.893 2.395 . . . . 0.0 112.813 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.5 -45.19 94.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.257 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.49 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.6 OUTLIER -63.94 -49.91 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.571 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -65.55 131.68 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 111.224 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -116.18 119.64 36.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 17.5 mt -77.51 125.35 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.519 HD11 HD11 ' A' ' 47' ' ' LEU . 90.8 mt -136.32 134.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.482 0.658 . . . . 0.0 111.835 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.407 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.8 t80 -168.37 142.6 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.236 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.26 22.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 0.0 110.071 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.56 33.31 66.51 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.174 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -152.63 139.49 19.02 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.611 0.243 . . . . 0.0 110.868 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.689 ' HB2' HD12 ' A' ' 47' ' ' LEU . 52.8 tt0 -65.43 126.86 29.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.284 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' B' ' 45' ' ' PHE . 76.8 mt -83.84 130.95 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.911 0.386 . . . . 0.0 111.446 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -81.29 137.48 35.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 53.5 m-20 -59.85 -49.39 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.35 60.94 4.48 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.681 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.599 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 5.7 tpm_? -151.68 136.93 17.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.556 ' H ' ' HE ' ' B' ' 54' ' ' ARG . 74.9 p -74.51 149.45 40.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.239 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.36 -39.01 75.07 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.15 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -52.83 -36.95 59.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.29 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.599 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 60.3 t0 -56.08 -57.15 13.36 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.457 ' HB2' HG13 ' B' ' 61' ' ' ILE . 93.7 m-85 -78.07 13.13 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.237 -0.185 . . . . 0.0 111.469 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 49.0 34.71 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.9 mt -64.95 122.94 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.54 -157.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.707 ' HZ1' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -93.61 141.54 28.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.435 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 50.7 mt-10 58.83 36.72 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -73.7 135.81 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.503 ' C ' HD11 ' B' ' 67' ' ' LEU . 86.5 m -87.75 127.03 35.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.503 HD11 ' C ' ' B' ' 66' ' ' THR . 7.5 mp -116.94 131.82 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.37 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 40.5 m170 -89.95 129.07 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.6 107.91 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.108 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.652 HG13 HD21 ' B' ' 8' ' ' LEU . 96.6 t -93.83 123.25 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.01 135.79 39.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.586 0.231 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.514 ' ND1' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.34 -24.14 66.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 95.4 mt-10 -51.1 -36.68 41.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.4 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -58.3 -47.44 83.67 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.69 -38.92 92.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.051 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.7 tp -58.01 -39.41 78.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.239 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -60.8 -45.04 95.96 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.645 HG23 HD13 ' B' ' 8' ' ' LEU . 16.6 mm -56.88 -39.22 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 28' ' ' LEU . 74.0 mt -61.56 -45.5 93.87 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.953 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.409 ' HB3' ' HE2' ' A' ' 17' ' ' MET . 85.9 mtp -54.97 -52.55 62.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -71.01 -29.98 66.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.437 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.58 ' SD ' HG23 ' B' ' 44' ' ' ILE . 63.4 tpp -61.55 -44.14 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.5 m-85 -120.55 109.69 36.2 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.39 52.36 4.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.746 2.297 . . . . 0.0 112.951 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.45 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.509 HG23 ' HD3' ' A' ' 27' ' ' LYS . 61.6 mt -63.34 133.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.393 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -65.14 142.2 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.58 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -55.94 -41.62 74.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.084 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -60.15 -46.0 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HE2' ' HE2' ' A' ' 31' ' ' HIS . 88.4 tttt -58.83 -46.79 86.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 16' ' ' LEU . 91.1 mt -57.21 -40.03 76.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.683 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -61.82 -44.28 97.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.365 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.8 t -58.74 -48.11 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' HE2' ' HE2' ' A' ' 27' ' ' LYS . 89.2 m-70 -60.97 -39.8 90.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' ND1' ' A' ' 9' ' ' HIS . 54.9 tp -60.2 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.024 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.83 -45.07 93.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.21 -47.17 85.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.919 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -79.27 38.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 m120 48.61 41.14 16.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.22 44.32 29.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.453 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -115.18 123.93 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' B' ' 8' ' ' LEU . 83.5 mt -75.23 -40.74 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -58.68 -43.22 89.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.511 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -74.08 -53.19 10.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 111.345 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.513 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 92.8 m -55.61 -55.96 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.576 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 64.8 mt -61.63 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.48 33.35 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.574 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -69.51 -44.25 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.218 0.532 . . . . 0.0 110.087 179.252 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 42' ' ' THR . 88.4 mt -62.51 -38.22 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.514 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' B' ' 48' ' ' LYS . 61.6 mt -50.69 -45.45 58.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.025 0.44 . . . . 0.0 110.299 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -83.24 43.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.642 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.422 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.649 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.998 0.428 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.61 HE22 ' HB2' ' B' ' 16' ' ' GLU . 95.9 mm-40 -65.96 148.76 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.1 pt -136.59 134.83 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.725 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.498 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.3 m-85 -79.66 142.51 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.439 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.527 HG12 HD12 ' B' ' 30' ' ' ILE . 48.8 t -137.97 77.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.936 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.442 ' NZ ' HD13 ' A' ' 15' ' ' ILE . 60.7 tttm -75.04 124.73 27.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -75.05 149.16 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.645 HD13 HG23 ' A' ' 15' ' ' ILE . 25.2 tp -50.85 -37.72 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -67.6 -56.19 10.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.4 -41.37 0.24 Allowed Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.97 126.88 19.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.305 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 62.8 m -100.74 138.53 37.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.68 HG21 HD21 ' B' ' 15' ' ' LEU . 56.3 mt -129.15 130.15 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.7 m -106.93 134.96 49.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.351 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 13' ' ' ILE . 3.2 mm? -131.06 144.68 51.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 111.033 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.61 ' HB2' HE22 ' B' ' 2' ' ' GLN . 37.8 tt0 -91.56 128.57 37.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.047 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' B' ' 3' ' ' ILE . 29.7 m -152.48 134.31 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 111.373 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.5 tp10 -66.35 154.92 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.411 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 78.8 p -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 80.3 p -90.31 35.1 0.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 22' ' ' THR . 32.4 t70 -78.22 -130.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.305 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.437 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.1 t -176.93 139.41 0.28 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.624 0.25 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.617 HD11 HD12 ' B' ' 50' ' ' LEU . 50.5 mm -53.58 -40.57 42.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.54 -45.06 69.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.553 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 26.3 t-20 -60.98 -40.32 92.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.465 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.4 t -56.39 -49.81 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.746 ' HZ3' ' HG ' ' B' ' 43' ' ' LEU . 66.3 mttm -61.47 -37.23 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -58.3 -50.15 74.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.553 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.2 mttm -61.23 -45.09 95.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.527 HD12 HG12 ' B' ' 5' ' ' VAL . 72.0 mt -58.04 -39.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.253 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.589 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 45.3 tt0 -61.99 -43.58 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.85 -43.75 97.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' B' ' 33' ' ' LYS . 7.7 mtpm? -69.88 -67.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.57 -42.67 74.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.25 40.7 6.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.044 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.768 HG21 HD12 ' B' ' 71' ' ' LEU . 74.4 mt -112.96 134.59 21.75 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.159 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 71.7 Cg_exo -51.17 139.7 42.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.427 2.084 . . . . 0.0 112.113 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.589 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 21.0 Cg_endo -60.75 -38.8 68.29 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.813 2.342 . . . . 0.0 112.696 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -57.25 -46.46 83.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.525 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -57.22 7.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 18.2 pt20 -62.16 142.64 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.597 ' HA ' ' HZ2' ' B' ' 27' ' ' LYS . 54.5 ttp180 -142.91 125.69 16.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.746 ' HG ' ' HZ3' ' B' ' 27' ' ' LYS . 90.8 mt -82.94 137.22 34.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.589 HG12 HD22 ' A' ' 47' ' ' LEU . 87.7 mt -127.09 142.48 43.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.437 ' N ' HG22 ' B' ' 44' ' ' ILE . 36.0 t80 -165.46 149.97 8.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.973 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.62 33.28 18.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.03 32.47 76.98 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.704 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.723 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -172.55 145.56 1.6 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 117.241 0.521 . . . . 0.0 111.218 179.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HB3' HD13 ' A' ' 47' ' ' LEU . 19.4 pt20 -58.94 130.5 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.367 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.617 HD12 HD11 ' B' ' 23' ' ' ILE . 97.1 mt -76.37 135.28 39.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.41 134.38 48.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.17 144.08 55.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.71 -26.94 5.56 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.873 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.506 ' O ' HG12 ' B' ' 23' ' ' ILE . 7.6 tpt180 -65.16 132.74 49.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.694 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -69.34 149.38 48.49 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 112.143 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' B' ' 61' ' ' ILE . 41.2 mt -57.05 -43.74 82.31 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -53.33 -35.89 60.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.083 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -55.48 -52.09 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.632 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.57 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.0 m-85 -79.91 13.33 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.87 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 50.37 37.34 15.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 0.0 110.053 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.57 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.8 mt -62.81 125.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.71 148.59 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.442 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.692 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 86.4 tttt -50.3 141.51 11.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.692 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 56.5 mt-10 61.7 40.83 12.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -68.46 135.96 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 47.0 m -80.98 83.11 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.7 mt -84.86 131.28 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.035 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.56 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 49.1 m170 -100.54 128.06 46.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.079 0.466 . . . . 0.0 112.136 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.548 HD12 HD22 ' B' ' 43' ' ' LEU . 61.4 tp -100.78 134.01 44.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.997 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' B' ' 8' ' ' LEU . 88.5 t -136.7 128.63 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.768 HD12 HG21 ' B' ' 36' ' ' ILE . 2.8 mm? -81.96 140.22 34.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.275 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.725 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.606 HD21 ' H ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.606 ' H ' HD21 ' A' ' 6' ' ' ASN . 37.7 t70 -151.63 -39.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.328 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -150.67 39.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.372 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' CE1' HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -76.9 -24.5 52.52 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.401 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.9 mp0 -51.2 -40.7 59.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' HG12 ' A' ' 15' ' ' ILE . 60.4 m -59.39 -46.29 89.1 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.709 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.7 -38.77 82.5 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.389 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -60.59 -44.77 95.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG23 HD13 ' B' ' 8' ' ' LEU . 19.4 mm -55.86 -40.95 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.237 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD13 ' HE1' ' A' ' 31' ' ' HIS . 94.1 mt -62.61 -44.27 96.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.1 mtt -54.71 -49.96 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.12 -31.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.838 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.684 ' SD ' HG22 ' B' ' 44' ' ' ILE . 63.2 tpp -62.56 -38.56 90.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.87 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CG ' HD13 ' A' ' 23' ' ' ILE . 11.2 m-85 -127.52 98.46 28.74 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.35 50.25 3.3 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.607 2.205 . . . . 0.0 112.53 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -163.53 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.474 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.626 HG22 ' HD2' ' A' ' 27' ' ' LYS . 65.2 mt -61.41 131.59 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -66.17 142.76 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.629 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -53.35 -35.25 60.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' HG21 ' A' ' 30' ' ' VAL . 65.7 m -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.626 ' HD2' HG22 ' A' ' 23' ' ' ILE . 24.6 ttmm -62.87 -44.34 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.761 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 95.0 mt -57.0 -44.38 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.1 tt0 -65.54 -43.31 90.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.24 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 26' ' ' SER . 92.6 t -60.67 -56.55 17.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.761 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.7 p80 -61.4 -42.91 99.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 37' ' ' ASN . 47.7 tp -57.07 -47.7 80.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.393 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -61.39 -48.64 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.692 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.19 -45.5 91.46 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.74 33.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 47.41 41.8 13.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.737 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.727 ' HA ' HD12 ' A' ' 32' ' ' LEU . 74.2 m-20 55.71 38.94 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.681 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' OD2' ' HA3' ' B' ' 76' ' ' GLY . 64.6 t0 -93.21 131.02 38.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.734 0.302 . . . . 0.0 110.831 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' B' ' 8' ' ' LEU . 87.6 mt -95.95 -43.92 7.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.86 -51.01 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' LEU . 57.4 tp -70.4 -54.75 11.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 111.797 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 31' ' ' HIS . 86.1 m -54.39 -56.04 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.329 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.6 mt -60.48 -41.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.852 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.05 44.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.005 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 62.5 tp -69.87 -38.52 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 110.714 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.5 mt -61.84 -34.67 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.555 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.639 HD21 HG12 ' B' ' 44' ' ' ILE . 91.4 mt -56.76 -50.8 71.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.423 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.597 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.1 -35.21 79.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.562 -179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 57.4 mm-40 -48.64 -42.59 34.81 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.339 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.87 45.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.12 -51.54 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -176.67 134.98 0.22 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.64 -49.64 67.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.766 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.498 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 4.4 pm0 -152.61 142.57 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 pt -118.06 138.94 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.418 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -78.86 145.89 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.98 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.5 HG13 HD12 ' B' ' 30' ' ' ILE . 59.4 t -126.35 84.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.681 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 61.1 tttm -77.84 133.11 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.202 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.2 p -92.2 151.75 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.567 HD13 HG23 ' A' ' 15' ' ' ILE . 19.0 tp -52.56 -36.36 55.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -70.15 -61.48 1.76 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.748 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.8 63.03 0.01 OUTLIER Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.346 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -157.08 123.59 4.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -105.38 137.11 43.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.535 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.846 HG22 HD21 ' B' ' 15' ' ' LEU . 70.8 mt -122.0 129.05 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.8 m -88.19 123.04 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.719 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.846 HD21 HG22 ' B' ' 13' ' ' ILE . 3.0 mm? -124.17 124.54 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.583 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.579 ' O ' HG12 ' B' ' 17' ' ' VAL . 44.5 tt0 -75.6 128.03 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.579 HG12 ' O ' ' B' ' 16' ' ' GLU . 35.3 m -147.63 138.86 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.12 0.486 . . . . 0.0 111.749 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -70.45 148.38 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.039 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.401 ' HA ' HD11 ' B' ' 56' ' ' LEU . 80.6 p -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -105.26 36.03 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' B' ' 22' ' ' THR . 53.9 t0 -83.06 -126.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.454 HG21 ' HB2' ' B' ' 25' ' ' ASN . 5.4 t -169.49 140.55 2.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.633 HG23 ' HZ3' ' B' ' 27' ' ' LYS . 35.4 mm -56.66 -40.95 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.496 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 8.5 t70 -53.82 -42.37 68.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.454 ' HB2' HG21 ' B' ' 22' ' ' THR . 0.7 OUTLIER -58.15 -43.03 87.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.949 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.503 ' O ' HG13 ' B' ' 30' ' ' ILE . 52.5 t -58.46 -45.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.633 ' HZ3' HG23 ' B' ' 23' ' ' ILE . 64.0 mttp -59.16 -42.05 89.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.475 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -46.33 89.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.093 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 26' ' ' VAL . 76.1 mt -57.53 -40.89 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 109.804 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -62.82 -39.14 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.64 -43.8 97.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.305 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.638 ' NZ ' HD13 ' B' ' 15' ' ' LEU . 98.7 mttt -69.66 -63.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' OE2' HD11 ' B' ' 13' ' ' ILE . 63.9 mm-40 -73.25 -45.83 53.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.9 30.2 9.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.617 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' B' ' 71' ' ' LEU . 49.2 mm -101.06 135.0 20.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 46.7 Cg_exo -55.95 136.31 74.14 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.295 1.997 . . . . 0.0 111.864 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.26 -42.01 60.78 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.614 2.21 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -60.14 -43.99 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.68 -52.93 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.448 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.7 pt20 -68.87 135.78 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 111.338 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 39.1 mmt180 -110.34 109.53 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.447 HD23 ' HE3' ' B' ' 27' ' ' LYS . 2.9 mm? -81.88 82.69 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.684 HG22 ' SD ' ' A' ' 19' ' ' MET . 74.8 mt -84.31 143.84 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.642 ' HE2' HG12 ' B' ' 61' ' ' ILE . 18.9 t80 -166.5 141.65 4.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.0 33.7 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.209 0.528 . . . . 0.0 110.275 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.57 71.76 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.598 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.617 ' HA ' HD23 ' A' ' 47' ' ' LEU . 6.6 ttpm? -173.19 138.94 0.76 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.073 0.436 . . . . 0.0 111.738 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 53.8 tt0 -59.28 129.56 42.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.559 HD11 HD13 ' B' ' 23' ' ' ILE . 61.6 mt -71.05 134.18 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.574 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.1 mt-10 -66.88 135.15 53.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -66.85 138.6 57.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.496 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 73.97 45.09 27.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.974 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.574 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 45.9 mmm-85 -131.2 130.78 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 110.977 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -67.88 144.27 55.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.629 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' B' ' 19' ' ' SER . 87.4 mt -54.99 -32.5 61.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.45 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.3 p -52.17 -43.66 64.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.99 -53.81 54.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.579 0.228 . . . . 0.0 111.547 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.507 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 59.1 m-85 -77.37 -9.5 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 111.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.53 39.02 25.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.773 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.642 HG12 ' HE2' ' B' ' 45' ' ' PHE . 74.1 mt -68.04 125.78 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -76.75 -154.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -102.75 144.21 31.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.677 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.28 36.76 20.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.799 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.414 ' OG ' HG22 ' B' ' 61' ' ' ILE . 61.5 m -68.38 135.23 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.607 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.4 m -87.8 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.461 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.538 ' N ' HD13 ' B' ' 67' ' ' LEU . 7.2 mp -85.87 128.67 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.289 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 43.7 m170 -86.98 144.2 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 111.86 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.5 tt -126.98 120.77 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.746 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' B' ' 8' ' ' LEU . 95.4 t -117.02 122.13 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' B' ' 36' ' ' ILE . 93.3 mt -73.62 133.06 43.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -74.3 -41.24 61.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.87 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.713 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 61.8 tp -57.32 141.41 47.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.263 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.713 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 29.2 mmm180 59.27 -141.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.121 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.45 -134.55 41.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.177 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.428 ' HA3' ' OD2' ' A' ' 38' ' ' ASP . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.411 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.76 -48.65 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -174.81 54.6 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.597 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.71 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 94.5 mt-10 -51.06 -40.56 58.6 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -59.98 -46.03 90.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 59.5 mttp -60.94 -38.86 87.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.637 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.36 -41.88 85.73 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.355 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 17' ' ' MET . 48.2 t -58.61 -43.72 89.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.126 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' B' ' 8' ' ' LEU . 19.4 mm -58.19 -39.23 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.011 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 28' ' ' LEU . 80.1 mt -60.01 -50.59 73.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.218 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.403 ' HE2' ' HA ' ' A' ' 14' ' ' SER . 78.5 mtm -56.36 -45.74 80.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.66 -33.37 72.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.854 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.595 ' SD ' HG21 ' B' ' 44' ' ' ILE . 62.2 tpp -64.21 -36.44 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.573 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CZ ' HG22 ' A' ' 43' ' ' ILE . 7.7 m-85 -128.98 108.06 18.16 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.12 54.86 5.41 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.654 2.236 . . . . 0.0 113.046 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.37 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.612 HG22 HD23 ' A' ' 28' ' ' LEU . 53.7 mt -61.86 133.63 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.516 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -69.72 147.25 50.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -54.52 -39.74 67.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -58.65 -49.51 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.214 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.1 tttp -59.91 -47.36 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD23 HG22 ' A' ' 23' ' ' ILE . 96.5 mt -58.43 -41.12 84.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp60 -59.65 -44.06 93.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 97.5 t -60.0 -47.67 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HE2' ' HE3' ' A' ' 27' ' ' LYS . 89.7 m-70 -60.49 -43.99 96.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -61.98 -44.51 96.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.199 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.1 mm-40 -61.29 -49.14 78.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -83.72 27.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.045 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 64.57 -72.96 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.989 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -162.09 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -39.27 123.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.11 0.481 . . . . 0.0 111.751 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.591 HD11 HD21 ' B' ' 8' ' ' LEU . 81.7 mt -85.22 -42.23 14.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.355 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.531 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 8.1 t70 -59.36 -41.64 89.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.139 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.21 -56.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.517 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.494 ' O ' HD22 ' A' ' 46' ' ' LEU . 92.0 m -57.1 -64.38 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 62.1 mt -55.56 -38.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.801 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.09 -47.96 53.64 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.674 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.5 tp -67.12 -38.32 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD22 ' O ' ' A' ' 42' ' ' THR . 4.2 mm? -55.72 -45.12 77.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' B' ' 49' ' ' GLN . 52.3 mt -54.13 -50.68 66.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.252 0.549 . . . . 0.0 109.819 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 38.1 ttpt -80.83 43.0 0.66 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.11 -46.84 87.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.05 39.74 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.761 ' HB2' ' HG2' ' A' ' 48' ' ' LYS . 36.0 t70 -65.68 -45.48 82.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.714 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 63.97 129.89 0.02 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.779 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -66.48 128.6 36.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.422 ' H ' ' NZ ' ' A' ' 53' ' ' LYS . 83.2 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.201 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.863 0.364 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.01 149.86 25.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.7 pt -136.77 133.97 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -92.34 148.09 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.384 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.901 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.2 t -131.89 78.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.108 0.48 . . . . 0.0 110.531 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 85.9 tttt -65.28 124.41 22.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.373 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.485 HG21 ' HZ1' ' B' ' 11' ' ' LYS . 75.6 p -88.54 152.68 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.969 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.591 HD21 HD11 ' A' ' 39' ' ' LEU . 95.3 mt -51.3 -35.28 37.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -62.92 -59.72 4.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.575 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.02 57.53 0.01 OUTLIER Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.262 -0.97 . . . . 0.0 113.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.657 ' NZ ' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -161.76 123.14 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 111.128 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 79.0 p -88.76 132.45 34.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.345 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.901 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 74.3 mt -98.41 123.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -90.48 133.97 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.471 ' O ' HG12 ' B' ' 3' ' ' ILE . 81.2 mt -149.39 141.34 23.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.435 ' O ' HG11 ' B' ' 17' ' ' VAL . 88.7 tt0 -95.32 127.38 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.268 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.435 HG11 ' O ' ' B' ' 16' ' ' GLU . 27.5 m -153.77 142.95 14.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.675 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 4.6 mm-40 -66.42 146.44 54.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.807 ' HA ' HD12 ' B' ' 56' ' ' LEU . 79.2 p -62.01 -34.43 76.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -95.87 29.95 2.54 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -84.29 -123.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.453 ' OG1' ' HA2' ' B' ' 53' ' ' GLY . 7.0 t -171.72 141.35 1.42 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.0 111.036 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.8 mm -53.84 -40.66 45.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.28 -46.07 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.78 -41.83 96.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' B' ' 30' ' ' ILE . 86.1 t -58.03 -49.74 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.526 ' HZ3' HG22 ' B' ' 23' ' ' ILE . 61.4 mttp -59.22 -39.67 83.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.567 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -59.5 -44.9 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.361 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.35 -40.83 96.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.43 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 26' ' ' VAL . 91.5 mt -62.46 -38.99 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.659 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -65.42 -46.27 80.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.518 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.89 -45.92 73.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.864 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -67.88 -61.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.21 -37.54 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.791 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.84 47.84 5.16 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.66 133.72 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.498 0.19 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.2 Cg_endo -55.86 137.21 78.04 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.549 2.166 . . . . 0.0 112.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.76 -33.3 96.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.735 2.29 . . . . 0.0 112.394 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -57.25 -46.15 83.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -70.62 -56.89 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.422 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.1 pt20 -67.14 141.58 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.243 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -138.76 120.78 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 8.5 mp -82.28 137.62 34.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.595 HG21 ' SD ' ' A' ' 19' ' ' MET . 79.4 mt -130.27 142.61 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.143 0.496 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.48 140.06 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.569 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 32.91 22.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.91 26.67 74.49 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.66 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -157.34 141.22 16.01 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.006 0.403 . . . . 0.0 111.576 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.572 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.2 pm0 -61.18 136.34 58.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.481 ' HB3' HG23 ' B' ' 23' ' ' ILE . 88.9 mt -64.22 129.76 41.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.547 ' HG3' ' HH ' ' B' ' 59' ' ' TYR . 49.8 mt-10 -74.28 132.32 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.85 137.67 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.453 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 72.41 46.89 31.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.564 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.562 ' O ' HG12 ' B' ' 23' ' ' ILE . 50.8 mmt-85 -138.49 133.54 32.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -63.31 148.72 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.4 mt -54.53 -37.05 64.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.2 t -54.81 -26.91 38.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.585 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.32 -57.26 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.419 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.547 ' HH ' ' HG3' ' B' ' 51' ' ' GLU . 13.2 m-85 -85.74 31.91 0.6 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.44 35.82 11.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.422 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.473 HG21 ' OG ' ' B' ' 65' ' ' SER . 72.1 mt -72.55 121.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -89.64 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -179.93 140.74 0.14 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 61.02 41.27 14.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.473 ' OG ' HG21 ' B' ' 61' ' ' ILE . 60.0 m -74.25 139.37 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 71.3 m -85.72 88.9 7.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.204 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 75.6 mt -86.09 134.5 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 13.7 m-70 -94.72 133.01 38.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.5 tt -107.79 135.23 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.606 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.463 HG11 HD13 ' B' ' 8' ' ' LEU . 99.2 t -135.11 125.8 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.07 141.85 35.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.531 ' HA ' ' OD2' ' A' ' 40' ' ' ASP . 71.4 ttt180 -65.56 165.23 12.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.621 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 63.0 tp -60.93 134.83 57.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.621 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 38.7 mmt180 64.31 133.34 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.19 -133.92 2.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.418 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.534 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 15.2 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.683 0.277 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 6' ' ' ASN . 55.1 m-20 75.78 -47.19 0.57 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.523 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 42.39 34.97 0.57 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.369 . . . . 0.0 111.287 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -73.38 -23.64 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 68.8 mm-40 -49.9 -39.09 38.62 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.509 ' O ' HD11 ' A' ' 15' ' ' ILE . 91.8 p -61.11 -49.7 76.22 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HD2' ' OG ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -58.6 -37.55 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.561 178.333 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.35 -40.22 93.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.969 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -59.84 -49.66 76.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.593 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.643 HG13 ' HZ1' ' B' ' 6' ' ' LYS . 1.8 mp -58.81 -37.93 69.42 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.746 HD13 ' HE1' ' A' ' 31' ' ' HIS . 86.7 mt -60.66 -44.7 96.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.787 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.5 mtp -57.98 -50.8 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.65 -29.34 65.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.588 ' SD ' HG23 ' B' ' 44' ' ' ILE . 63.5 tpp -63.97 -41.12 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.032 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -123.1 97.48 43.31 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.54 51.11 3.18 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.055 2.503 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.74 -39.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.458 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.751 HG21 ' HD3' ' A' ' 27' ' ' LYS . 70.0 mt -62.01 132.31 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -64.2 140.77 58.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.513 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -50.85 -37.16 41.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -59.19 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.751 ' HD3' HG21 ' A' ' 23' ' ' ILE . 62.0 tttp -58.95 -43.31 91.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.999 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.774 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -57.79 -47.3 82.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.02 -40.13 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.669 0.271 . . . . 0.0 111.197 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 26' ' ' SER . 85.7 t -61.77 -57.98 9.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.774 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 7.1 p80 -60.15 -41.84 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.109 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 37' ' ' ASN . 40.8 tp -58.0 -47.05 84.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.29 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.84 -46.22 90.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.451 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.31 -43.75 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.286 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.8 m120 -81.23 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 44.79 36.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 32' ' ' LEU . 74.5 m-20 54.54 45.01 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.01 129.79 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.872 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD11 HD11 ' B' ' 8' ' ' LEU . 75.7 mt -83.67 -54.0 5.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.886 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 62.8 t0 -57.5 -47.47 81.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 45' ' ' LEU . 6.9 tt -65.11 -64.05 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.073 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.583 HG22 ' ND1' ' A' ' 31' ' ' HIS . 86.5 m -52.14 -63.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.402 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.603 HG21 HD13 ' B' ' 44' ' ' ILE . 69.9 mt -52.18 -36.72 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.98 59.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.086 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 41' ' ' LEU . 10.0 mp -66.9 -40.23 87.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.607 0.241 . . . . 0.0 110.538 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 42' ' ' THR . 4.0 mm? -55.54 -42.62 74.86 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' B' ' 48' ' ' LYS . 34.5 mt -55.37 -39.0 69.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.017 0.437 . . . . 0.0 110.19 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.93 39.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.38 -53.57 9.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.297 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' HB3' ' HZ2' ' B' ' 48' ' ' LYS . 50.6 t30 -90.07 41.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.663 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -176.15 133.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -171.09 132.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.413 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 3.6 mptp? -68.9 -44.6 72.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.909 -179.786 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.919 0.39 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.497 ' HB2' ' OE2' ' B' ' 64' ' ' GLU . 13.4 mp0 -69.04 148.89 49.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.797 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.443 HG12 ' O ' ' B' ' 15' ' ' LEU . 35.3 pt -135.45 132.18 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.256 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.535 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.6 m-85 -79.09 143.22 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.4 t -130.77 78.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.643 ' HZ1' HG13 ' A' ' 15' ' ' ILE . 55.2 tttm -75.5 127.7 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.406 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 81.7 p -86.89 144.82 26.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.046 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.789 ' HB2' ' HA ' ' B' ' 70' ' ' VAL . 29.1 tp -52.84 -36.92 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -66.46 -60.49 2.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.68 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.64 63.07 0.01 OUTLIER Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.406 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 87.2 tttt -164.68 116.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.96 0.38 . . . . 0.0 111.125 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.0 m -99.51 139.72 34.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.555 HG23 HD23 ' B' ' 15' ' ' LEU . 54.1 mt -133.61 126.67 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' B' ' 2' ' ' GLN . 89.2 m -99.16 130.12 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.679 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.555 HD23 HG23 ' B' ' 13' ' ' ILE . 2.4 mm? -133.83 139.71 46.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.506 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 87.8 tt0 -76.97 134.36 38.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.448 ' HB ' ' OD2' ' B' ' 21' ' ' ASP . 30.4 m -147.79 137.76 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.901 0.381 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' B' ' 20' ' ' SER . 43.7 tt0 -66.69 146.7 54.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.745 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -55.02 -40.49 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.932 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.475 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 78.1 p -92.39 36.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.386 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' HB ' ' B' ' 17' ' ' VAL . 57.1 p-10 -80.52 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.765 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.458 HG21 ' HB2' ' B' ' 25' ' ' ASN . 6.3 t -175.94 143.7 0.58 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 50' ' ' LEU . 50.7 mm -50.63 -42.94 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.28 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.35 -42.99 78.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.458 ' HB2' HG21 ' B' ' 22' ' ' THR . 0.7 OUTLIER -59.36 -44.72 92.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.454 ' O ' HG13 ' B' ' 30' ' ' ILE . 51.4 t -56.57 -39.84 65.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.854 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 34.8 mmtp -59.55 -47.35 85.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.972 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t -55.82 -44.33 77.79 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' B' ' 15' ' ' LEU . 28.3 mtpp -60.24 -43.93 95.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.8 mt -58.45 -40.46 78.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.34 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 9.2 mm100 -60.41 -49.55 77.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.36 0.6 . . . . 0.0 109.934 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.98 -29.91 67.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.183 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' B' ' 13' ' ' ILE . 26.4 tptp -79.01 -40.1 32.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.542 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.4 -32.19 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.52 51.06 5.38 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' B' ' 41' ' ' GLN . 66.2 mt -88.28 134.18 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.485 0.183 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 56.4 Cg_exo -51.44 138.89 47.05 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.316 2.011 . . . . 0.0 111.799 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.1 -47.52 19.86 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.473 2.116 . . . . 0.0 112.597 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.18 -40.45 94.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.4 tp60 -58.64 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.359 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.568 ' HB2' HD12 ' B' ' 69' ' ' LEU . 25.6 pt20 -74.74 146.28 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.445 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.711 ' HB3' HG21 ' B' ' 70' ' ' VAL . 14.2 tpp85 -144.98 119.96 10.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 50.4 mt -85.78 119.23 25.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 112.294 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.603 HD13 HG21 ' A' ' 43' ' ' ILE . 89.5 mt -115.42 143.38 25.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.485 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' B' ' 47' ' ' GLY . 30.7 t80 -165.45 145.77 6.91 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.43 -34.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 165.18 -15.05 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.708 ' HA ' HD22 ' A' ' 47' ' ' LEU . 63.1 pttt -159.28 170.71 21.28 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.066 0.46 . . . . 0.0 112.002 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 6.9 tt0 -52.25 135.8 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.181 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.745 HD11 HD11 ' B' ' 61' ' ' ILE . 75.2 mt -82.87 35.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.322 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' HG3' ' B' ' 54' ' ' ARG . 55.6 mt-10 51.16 -167.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 111.31 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.28 42.35 2.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.233 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.31 54.14 0.05 OUTLIER Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.423 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.6 mmm180 -148.05 135.14 20.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.14 0.495 . . . . 0.0 111.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.446 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 40.9 p -65.46 141.86 58.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.605 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.528 HD23 HD13 ' B' ' 61' ' ' ILE . 71.7 mt -49.72 -24.51 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -56.87 -46.73 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 55' ' ' THR . 2.9 p-10 -59.62 -50.57 73.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.288 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.404 ' CE1' HD22 ' B' ' 50' ' ' LEU . 90.0 m-85 -70.39 -16.93 63.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.637 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.93 40.58 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.317 0.579 . . . . 0.0 109.766 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.745 HD11 HD11 ' B' ' 50' ' ' LEU . 70.3 mt -67.49 125.24 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.466 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -75.97 155.71 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.777 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -62.53 147.17 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.742 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.497 ' OE2' ' HB2' ' B' ' 2' ' ' GLN . 43.3 mm-40 62.57 35.1 14.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.984 0.421 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -77.81 139.74 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.257 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 87.1 m -91.25 96.83 10.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.613 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -87.5 134.31 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.487 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 44.7 m170 -90.64 140.17 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' B' ' 41' ' ' GLN . 47.4 tp -121.44 83.29 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.789 ' HA ' ' HB2' ' B' ' 8' ' ' LEU . 19.3 m -71.47 133.66 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.51 134.56 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 50.5 ttt-85 -67.13 133.14 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.4 132.3 53.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.761 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -173.63 46.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.12 -44.7 96.81 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.591 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.592 0.234 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 t70 69.3 138.12 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.06 40.03 0.2 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.022 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -67.67 -24.61 65.44 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 11.4 pt-20 -51.45 -35.6 40.32 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.793 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' SER . 39.1 t -59.73 -44.6 93.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.01 -43.58 98.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.82 -37.66 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.412 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -61.65 -43.89 98.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.451 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 19' ' ' MET . 22.2 mm -56.33 -44.5 79.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.623 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 28' ' ' LEU . 95.3 mt -59.18 -45.44 91.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.352 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.424 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 86.1 mtp -56.17 -52.84 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.188 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.516 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 61.4 t0 -73.26 -30.22 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.511 ' HE2' ' HB3' ' B' ' 68' ' ' HIS . 54.6 tpp -59.88 -37.45 79.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -128.82 106.58 18.45 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.91 51.62 3.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.937 2.425 . . . . 0.0 112.69 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.93 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 23' ' ' ILE . 70.7 mt -66.3 132.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.144 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -57.71 138.83 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.228 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.38 -30.57 60.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.4 t -54.15 -48.04 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.442 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.62 -51.03 64.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.688 0.28 . . . . 0.0 111.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 16' ' ' LEU . 87.6 mt -49.54 -42.14 43.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.101 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.44 -44.01 72.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 26' ' ' SER . 75.2 t -62.88 -53.64 44.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.475 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -58.5 -43.68 89.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 37' ' ' ASN . 57.2 tp -58.45 -50.63 73.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.268 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.82 -45.59 93.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 67.0 mm-40 -63.17 -48.78 76.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.64 37.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.34 48.65 18.8 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 111.115 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 32' ' ' LEU . 11.0 p-10 42.06 41.3 1.94 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.038 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -95.18 128.26 41.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.54 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 HD11 HD11 ' B' ' 8' ' ' LEU . 85.2 mt -77.89 -49.63 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.507 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.16 -44.38 92.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 41' ' ' LEU . 3.4 tt -67.73 -59.41 3.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 110.968 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.542 ' O ' HD22 ' A' ' 46' ' ' LEU . 86.4 m -56.39 -63.34 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.329 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.0 mt -56.0 -38.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.31 -47.55 61.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.051 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 45' ' ' LEU . 3.3 tm? -69.45 -38.95 78.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD22 ' O ' ' A' ' 42' ' ' THR . 4.3 mm? -55.3 -45.51 76.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.86 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.626 HD21 HD12 ' B' ' 44' ' ' ILE . 74.4 mt -56.6 -35.39 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.095 0.474 . . . . 0.0 110.295 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.08 -31.96 72.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.812 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -46.07 -50.89 14.68 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.72 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.563 ' OD1' ' HD3' ' B' ' 48' ' ' LYS . 18.1 p30 -69.62 -133.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.793 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 79.5 m-20 71.79 -24.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 50' ' ' ASN . 55.7 m-20 -81.98 135.48 35.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.475 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -169.57 -43.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 179.001 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.505 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.8 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.922 0.391 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.616 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -71.94 146.54 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.057 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.55 HD13 HG21 ' B' ' 17' ' ' VAL . 38.1 pt -130.74 136.6 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -88.04 146.8 25.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.468 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 57.9 t -146.41 77.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.289 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.705 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 85.0 tttt -71.73 135.31 46.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -82.11 142.05 32.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.545 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.668 HD23 HG23 ' B' ' 70' ' ' VAL . 78.5 mt -42.6 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.783 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p 48.37 66.35 1.09 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.971 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.46 -67.9 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.611 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -172.88 139.28 0.85 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.201 0.501 . . . . 0.0 111.542 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.2 p -81.44 124.21 29.24 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.127 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.453 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 35.5 mm -94.18 136.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.329 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.544 ' C ' HD21 ' B' ' 15' ' ' LEU . 89.7 m -115.65 128.43 55.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.768 0.318 . . . . 0.0 111.847 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.566 HD21 ' N ' ' B' ' 15' ' ' LEU . 2.9 mm? -130.81 140.87 50.31 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.475 ' O ' HG11 ' B' ' 17' ' ' VAL . 5.5 tp10 -86.07 123.46 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.55 HG21 HD13 ' B' ' 3' ' ' ILE . 22.0 m -150.37 134.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.136 0.493 . . . . 0.0 111.563 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' B' ' 20' ' ' SER . 88.2 tt0 -67.84 152.2 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -77.35 43.54 0.39 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.042 0.449 . . . . 0.0 110.44 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 18' ' ' GLU . 40.4 t -168.58 49.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.499 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 8.1 t70 -139.66 141.97 37.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.871 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -69.39 145.94 52.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.523 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.67 -41.91 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.55 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -51.17 -44.07 61.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.577 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 50.1 t30 -55.58 -44.75 77.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.02 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.97 -40.09 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.363 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.541 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -58.46 -42.27 87.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.511 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -64.42 -45.23 88.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.932 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.537 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.4 mttm -59.44 -47.36 85.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.59 -39.71 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.21 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.07 -40.95 78.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.406 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.37 -68.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.955 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.55 -39.38 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.858 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.55 13.6 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.12 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -94.97 133.74 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.417 0.151 . . . . 0.0 110.78 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.97 137.12 68.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.063 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.63 -42.3 66.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.651 2.234 . . . . 0.0 112.549 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.62 -42.87 81.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -63.74 -48.89 75.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.682 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.2 136.39 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 111.274 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.534 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 72.0 mtp180 -134.86 81.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.541 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 5.8 mp -69.55 86.6 0.46 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.368 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 47' ' ' LEU . 68.2 mt -82.13 141.25 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.177 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.62 ' HE2' HG12 ' B' ' 61' ' ' ILE . 22.6 t80 -161.75 140.32 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.594 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.41 31.74 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.214 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 16.45 76.71 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 113.894 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.563 ' HD3' ' OD1' ' A' ' 50' ' ' ASN . 36.9 ttpt -173.27 144.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.564 0.682 . . . . 0.0 112.238 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 64.4 mt-30 -54.97 133.11 48.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.537 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.585 HD13 HD21 ' B' ' 67' ' ' LEU . 77.4 mt -68.39 130.1 41.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 50.9 mt-10 -60.73 137.9 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.409 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 15.4 m-20 -79.94 50.35 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.523 ' O ' HG12 ' B' ' 23' ' ' ILE . 73.0 mtt-85 -152.4 134.68 15.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -67.6 148.67 51.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.081 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -50.7 -33.26 22.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.999 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -56.69 -39.28 73.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.543 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.335 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.514 ' HB2' HG13 ' B' ' 61' ' ' ILE . 23.6 m-85 -75.99 -10.4 59.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.709 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 60.47 40.94 16.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.62 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.4 mt -64.07 125.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.397 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.3 146.47 30.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -51.44 141.27 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.527 ' HG2' ' HG2' ' B' ' 2' ' ' GLN . 56.0 mt-10 61.96 40.01 12.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.03 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.5 ' HG ' HD13 ' B' ' 67' ' ' LEU . 40.5 t -70.89 137.48 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 91.5 m -84.83 86.14 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.585 HD21 HD13 ' B' ' 50' ' ' LEU . 7.3 mp -85.9 139.51 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.538 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.516 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 40.9 m170 -95.49 141.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.34 119.83 33.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.487 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.668 HG23 HD23 ' B' ' 8' ' ' LEU . 84.8 t -113.78 125.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.519 HD11 ' N ' ' B' ' 71' ' ' LEU . 5.5 mp -98.45 130.22 45.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.89 131.01 41.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 tp -81.55 56.79 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' B' ' 74' ' ' ARG . 68.3 mtt-85 -143.52 137.46 28.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.32 -133.52 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.67 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.499 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.31 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -170.16 -30.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -166.5 43.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.307 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -61.45 -25.48 67.26 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 50.4 mt-10 -52.04 -37.25 52.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.317 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -58.52 -51.46 69.79 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HE2' HD21 ' A' ' 37' ' ' ASN . 59.2 mttp -59.62 -37.62 79.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.318 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 17' ' ' MET . 60.0 tp -60.65 -39.89 89.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.836 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -61.17 -45.3 95.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.795 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.693 HG23 HD23 ' B' ' 8' ' ' LEU . 1.8 mp -57.85 -42.76 82.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.588 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.27 -45.29 93.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.587 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 63.3 mtm -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 0.0 111.223 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.1 -40.51 86.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.636 ' HE3' HD21 ' B' ' 8' ' ' LEU . 54.5 ttm -63.55 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.001 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.513 ' HZ ' HG21 ' A' ' 43' ' ' ILE . 30.3 m-85 -124.48 71.36 57.13 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.068 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.23 -40.7 69.05 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.386 2.057 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.31 84.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.516 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.94 133.34 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 111.4 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -66.55 140.42 57.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -58.48 -29.96 66.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.347 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -55.18 -48.61 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' NZ ' ' HE2' ' A' ' 31' ' ' HIS . 61.7 tttm -62.86 -49.47 74.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -57.27 -38.17 73.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.819 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.94 -43.03 94.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.397 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.1 -47.68 86.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 90.9 m-70 -62.68 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 34.7 tp -62.49 -45.34 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.24 -48.24 79.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -60.84 -49.53 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -83.95 28.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 36' ' ' ASN . 2.7 m120 65.41 -71.0 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.536 HD21 ' HE2' ' A' ' 12' ' ' LYS . 16.3 p-10 -177.09 32.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.184 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.77 134.15 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.96 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.46 -49.25 4.29 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -56.08 -50.08 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.69 -57.06 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 HG21 HD21 ' A' ' 46' ' ' LEU . 86.0 m -54.41 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.513 HG21 ' HZ ' ' A' ' 20' ' ' PHE . 71.1 mt -53.81 -38.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.87 -46.59 60.36 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.488 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 tp -70.41 -37.32 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.8 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.6 mm? -59.03 -43.81 91.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.297 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.744 HD22 HD12 ' B' ' 44' ' ' ILE . 86.5 mt -52.86 -49.52 65.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -81.47 40.78 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -66.46 -51.83 52.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -66.39 -44.1 84.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.09 134.09 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.43 137.5 58.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -59.65 143.41 50.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.242 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.93 -179.684 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.727 ' HA ' ' HZ1' ' B' ' 63' ' ' LYS . 27.4 ttt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 3.6 pm0 -151.14 151.51 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.741 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.446 HD12 ' HB2' ' B' ' 15' ' ' LEU . 0.2 OUTLIER -124.97 133.98 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.414 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' B' ' 66' ' ' THR . 3.0 m-85 -78.33 99.92 6.54 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.454 HG23 HD23 ' B' ' 15' ' ' LEU . 52.5 t -78.01 82.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.752 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.625 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 62.8 tttp -80.04 132.71 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.754 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -96.88 147.54 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.928 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -49.02 -32.65 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.707 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.5 m -62.93 -53.96 45.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.33 -38.37 0.41 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.07 135.52 31.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.946 0.403 . . . . 0.0 112.013 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.7 p -118.81 87.42 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.636 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.448 HG21 HD21 ' B' ' 15' ' ' LEU . 56.0 mt -76.04 116.88 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.187 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.7 m -84.14 128.53 34.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 5' ' ' VAL . 4.5 mm? -117.98 142.47 47.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.234 0.54 . . . . 0.0 111.055 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 41.6 tt0 -84.75 124.56 31.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.795 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.801 HG12 HD12 ' B' ' 56' ' ' LEU . 2.9 p -164.1 132.8 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.412 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' B' ' 20' ' ' SER . 30.3 mt-10 -87.0 147.64 25.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.899 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.64 ' HA ' HD11 ' B' ' 56' ' ' LEU . 41.3 t -76.62 30.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 18' ' ' GLU . 79.8 p -124.98 -29.21 3.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -61.2 -113.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -170.12 146.32 2.98 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.272 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.44 -40.12 23.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -55.51 -42.24 74.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.443 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 20.0 t-20 -62.11 -41.41 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.588 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' B' ' 30' ' ' ILE . 39.5 t -56.7 -49.16 79.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.004 0.431 . . . . 0.0 110.225 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 98.9 mttt -62.43 -38.56 90.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -57.82 -42.67 84.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.816 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.65 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.3 mtpm? -62.58 -41.96 99.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.594 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -58.41 -36.12 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.085 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 2.6 mm100 -64.81 -50.18 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.451 0.644 . . . . 0.0 110.525 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -56.21 -42.86 77.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.785 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.72 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.66 -41.98 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.09 44.47 44.87 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.29 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 41' ' ' GLN . 50.3 mm -99.77 134.11 21.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.336 0.112 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 87.9 Cg_exo -47.23 133.87 19.39 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.446 2.097 . . . . 0.0 112.105 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.83 -45.84 33.67 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 0.0 112.683 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.8 -43.41 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 53.6 tt0 -67.07 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.404 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.2 pt20 -63.45 138.46 58.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.05 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -146.13 106.95 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.1 mm? -75.66 116.23 16.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.744 HD12 HD22 ' A' ' 47' ' ' LEU . 96.9 mt -103.93 142.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.105 0.479 . . . . 0.0 111.726 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.479 ' HB3' HD23 ' B' ' 50' ' ' LEU . 32.4 t80 -160.34 144.49 14.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.814 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.71 35.2 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 110.541 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.08 28.51 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.809 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -173.02 138.69 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.25 0.525 . . . . 0.0 111.889 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.598 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.5 tt0 -58.22 127.33 31.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.725 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' B' ' 45' ' ' PHE . 45.1 mt -72.39 126.3 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.16 126.39 29.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.55 132.51 47.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.8 -35.02 3.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.471 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -67.21 -140.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -150.24 147.02 27.18 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.801 HD12 HG12 ' B' ' 17' ' ' VAL . 83.6 mt -52.98 -44.34 67.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -60.87 -36.53 79.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -53.91 -53.9 46.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.612 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.84 23.56 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.291 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 48.48 35.42 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.214 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.701 HD13 HD23 ' B' ' 56' ' ' LEU . 66.1 mt -68.7 124.43 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.964 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' B' ' 65' ' ' SER . 19.2 pt20 -87.87 147.99 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.727 ' HZ1' ' HA ' ' B' ' 1' ' ' MET . 59.6 tttp -53.76 142.03 24.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.709 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.6 mt-10 61.33 37.64 16.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 86.6 p -72.72 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.656 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.7 m -161.46 126.64 3.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.047 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.86 134.91 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.625 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 47.7 m170 -89.14 104.1 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 111.465 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.427 ' O ' HD23 ' B' ' 69' ' ' LEU . 4.9 tt -75.98 79.91 2.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.628 HG21 HD21 ' B' ' 8' ' ' LEU . 85.8 t -78.33 133.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.52 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.48 138.44 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.7 -61.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.493 HD13 ' H ' ' B' ' 75' ' ' GLY . 0.9 OUTLIER -63.23 132.85 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.529 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -51.15 -50.91 58.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.463 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.493 ' H ' HD13 ' B' ' 73' ' ' LEU . . . 70.39 136.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.618 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.595 -179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.9 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.97 0.414 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -176.35 -44.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.24 45.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.599 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.12 -23.52 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.6 pm0 -50.36 -37.21 35.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.638 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 15' ' ' ILE . 44.0 t -61.68 -47.11 86.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.719 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -58.12 -37.18 74.1 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.092 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 52.2 tp -62.06 -38.86 90.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.632 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -59.69 -49.05 79.26 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.7 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.516 HG21 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.72 -37.78 61.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.729 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.678 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.8 mt -60.93 -45.6 94.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.7 mtt -57.3 -50.4 73.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.23 -31.9 68.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.694 ' SD ' HG21 ' B' ' 44' ' ' ILE . 59.3 tpp -63.07 -38.35 90.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.884 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.09 103.43 26.71 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.36 49.87 3.35 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.767 2.312 . . . . 0.0 112.847 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.36 -44.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.592 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG22 ' HD3' ' A' ' 27' ' ' LYS . 68.0 mt -59.41 133.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.313 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p -62.84 141.76 58.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.249 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -47.43 84.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HE3' ' HE2' ' A' ' 31' ' ' HIS . 64.3 tttp -58.8 -46.99 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -58.61 -41.07 85.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.89 -42.14 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 96.9 t -60.59 -50.39 80.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' HE2' ' HE3' ' A' ' 27' ' ' LYS . 90.4 m-70 -59.6 -43.16 93.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD23 ' HB2' ' A' ' 9' ' ' HIS . 55.3 tp -59.27 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.481 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.08 -46.39 89.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 57.2 mm-40 -65.38 -46.8 78.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -78.78 44.21 0.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 46.72 32.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' HA ' HD11 ' A' ' 32' ' ' LEU . 75.8 m-20 55.81 48.19 18.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -113.47 137.78 51.05 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.725 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 43' ' ' ILE . 94.6 mt -83.62 -47.84 10.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -54.88 -50.23 69.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.41 -54.54 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 111.682 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 HD21 ' A' ' 46' ' ' LEU . 86.0 m -55.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 HG22 ' HG2' ' A' ' 19' ' ' MET . 63.2 mt -53.29 -40.76 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.73 -45.88 60.14 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.691 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -68.87 -39.11 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.135 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD21 HG22 ' A' ' 42' ' ' THR . 4.5 mm? -56.03 -35.92 67.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.959 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.727 HD23 HD12 ' B' ' 44' ' ' ILE . 77.2 mt -47.23 -50.07 21.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 50' ' ' ASN . 95.8 mttt -67.64 -26.87 66.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.424 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -75.34 31.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.375 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 48' ' ' LYS . 7.0 m120 -145.76 46.72 1.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.524 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' HB2' ' HZ1' ' B' ' 48' ' ' LYS . 8.3 t70 -169.93 -45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 50.4 t0 58.0 -133.03 1.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.7 mtmt -63.43 -45.49 90.67 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 120.67 0.271 . . . . 0.0 110.998 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.908 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.943 0.401 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 70.8 mt-30 -62.34 153.86 29.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 15' ' ' LEU . 44.0 pt -142.86 138.52 27.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.79 141.13 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.364 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -124.62 79.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.669 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.3 tttt -76.92 129.45 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.417 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -77.02 -148.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.525 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.875 HD23 HG22 ' B' ' 70' ' ' VAL . 88.8 mt -108.38 48.5 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.628 0.251 . . . . 0.0 110.848 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -160.6 -52.27 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.436 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 171.65 -38.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.575 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.4 139.35 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.766 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.8 p -135.55 125.45 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.45 123.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.6 HG23 ' N ' ' B' ' 15' ' ' LEU . 95.0 m -90.12 142.72 27.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.6 ' N ' HG23 ' B' ' 14' ' ' THR . 8.1 mt -151.37 133.58 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 23.2 pt-20 -77.29 132.06 38.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 17' ' ' VAL . 29.1 m -147.9 133.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.058 0.456 . . . . 0.0 111.454 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.695 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 85.3 tt0 -67.34 139.81 57.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.006 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -63.56 -39.37 94.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.475 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 62.9 m -91.02 25.0 2.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.695 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 8.7 t0 -84.43 -124.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.244 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.542 HG21 ' OD1' ' B' ' 24' ' ' ASP . 8.4 t -167.56 144.22 4.28 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' B' ' 52' ' ' ASP . 38.9 mm -54.0 -47.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.052 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.542 ' OD1' HG21 ' B' ' 22' ' ' THR . 2.7 p30 -53.69 -42.44 67.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.488 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 46.1 t30 -59.81 -45.2 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.42 -49.28 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.473 ' HG2' HD11 ' B' ' 43' ' ' LEU . 98.0 mttt -60.89 -37.24 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -62.14 -44.9 95.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.58 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 8.1 mtpm? -59.68 -46.92 87.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.354 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.589 ' HA ' ' NZ ' ' B' ' 33' ' ' LYS . 68.3 mt -63.37 -36.48 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -59.96 -47.01 87.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.97 -42.12 77.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.408 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.59 ' NZ ' ' HB3' ' B' ' 33' ' ' LYS . 6.0 ttpm? -65.84 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.911 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.83 -40.75 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.847 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 31.28 30.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.054 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.449 HG23 HD11 ' B' ' 36' ' ' ILE . 49.3 mm -96.2 131.85 27.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.364 0.126 . . . . 0.0 110.802 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.46 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.9 Cg_endo -56.08 135.28 69.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.399 2.066 . . . . 0.0 111.927 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.51 -37.88 63.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.794 2.329 . . . . 0.0 112.93 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.81 -48.43 81.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.532 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.758 ' HB3' HD11 ' B' ' 71' ' ' LEU . 72.4 mt-30 -69.12 -53.84 18.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 2.8 pt20 -63.56 143.39 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.526 HH21 HG11 ' B' ' 70' ' ' VAL . 56.6 ttp180 -150.3 125.45 10.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' B' ' 27' ' ' LYS . 6.3 mp -93.28 132.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.612 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.727 HD12 HD23 ' A' ' 47' ' ' LEU . 97.1 mt -131.05 140.05 49.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.806 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.553 ' N ' HG23 ' B' ' 44' ' ' ILE . 33.9 t80 -159.89 152.86 21.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.763 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.97 31.51 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 110.3 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.16 34.61 81.41 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.634 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.413 ' HZ2' ' HB2' ' A' ' 50' ' ' ASN . 22.2 ttmm -172.36 143.29 1.41 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.144 0.472 . . . . 0.0 111.728 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.614 ' HB2' HD11 ' A' ' 47' ' ' LEU . 37.7 tt0 -57.66 132.8 54.34 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.711 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.9 mt -83.92 127.17 33.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.67 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.432 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.466 ' HB3' ' HZ2' ' B' ' 27' ' ' LYS . 2.7 p30 -71.35 147.76 47.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.795 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.529 ' HA2' ' OD2' ' B' ' 24' ' ' ASP . . . 96.97 -29.16 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' B' ' 54' ' ' ARG . 12.2 mmp_? -64.67 -145.08 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 111.198 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.402 ' HG1' ' HB2' ' B' ' 58' ' ' ASP . 65.1 p -150.49 146.1 26.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.227 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.622 HD21 HD11 ' B' ' 61' ' ' ILE . 93.2 mt -53.36 -44.05 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.75 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -58.59 -36.21 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.342 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.402 ' HB2' ' HG1' ' B' ' 55' ' ' THR . 8.4 t70 -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.444 ' HB2' HG13 ' B' ' 61' ' ' ILE . 2.5 m-85 -81.54 23.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 47.0 33.89 2.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.622 HD11 HD21 ' B' ' 56' ' ' LEU . 75.1 mt -72.53 126.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.285 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.473 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.3 pm0 -85.35 -157.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.902 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.415 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 62.8 pttt -92.26 147.28 23.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.778 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 58.44 39.93 24.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.8 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.2 m -92.01 84.69 5.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.777 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -86.28 140.71 29.84 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.759 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.669 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 51.3 m170 -100.73 127.74 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.5 80.28 2.83 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.296 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.875 HG22 HD23 ' B' ' 8' ' ' LEU . 89.3 t -71.55 133.33 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.954 0.407 . . . . 0.0 111.501 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' B' ' 40' ' ' GLN . 47.4 tp -98.75 138.1 36.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.602 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.3 tpt180 -65.27 -42.46 93.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.888 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.431 ' HB3' HD23 ' B' ' 71' ' ' LEU . 64.8 tp -56.26 138.95 49.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -55.27 136.99 48.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.79 -45.32 96.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.307 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.414 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.56 0.219 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -172.15 -40.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -176.2 40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.229 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -24.54 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.624 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 54.6 mt-10 -51.51 -43.43 62.26 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.2 p -58.56 -46.82 86.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.465 0.65 . . . . 0.0 109.468 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 30.6 mmtp -61.51 -37.95 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.21 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 65.9 tp -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.641 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -60.83 -46.67 89.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.564 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.77 -40.15 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.626 HD13 ' HE1' ' A' ' 31' ' ' HIS . 90.5 mt -61.12 -42.3 98.29 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.447 ' HB3' ' HE3' ' A' ' 17' ' ' MET . 83.2 mtp -60.15 -49.6 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.8 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.54 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 60.2 t0 -73.78 -32.36 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.603 ' SD ' HG23 ' B' ' 44' ' ' ILE . 56.7 tpp -66.16 -38.3 87.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.724 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' HE2' HD21 ' A' ' 16' ' ' LEU . 9.5 m-85 -129.52 67.99 79.74 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 10.4 Cg_endo -53.43 -38.48 82.95 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.474 2.116 . . . . 0.0 111.691 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.1 99.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.199 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 HG22 ' HD3' ' A' ' 27' ' ' LYS . 63.0 mt -68.29 135.72 27.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.309 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -62.11 143.06 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.849 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.71 -40.93 76.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' HG21 ' A' ' 30' ' ' VAL . 60.4 m -54.8 -48.66 72.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 23' ' ' ILE . 87.8 tttt -59.38 -38.1 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.681 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 87.0 mt -62.88 -43.47 98.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.503 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -65.39 -42.56 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 0.0 111.009 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 26' ' ' SER . 66.1 t -59.92 -59.22 4.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.681 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 3.9 p80 -58.77 -41.68 87.19 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 37' ' ' ASN . 56.1 tp -55.91 -43.43 77.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.3 mt -61.68 -41.61 97.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.324 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.56 -54.87 40.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.071 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -83.94 36.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 64.22 -74.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.71 ' HA ' HD12 ' A' ' 32' ' ' LEU . 23.3 p30 179.32 28.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.072 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.83 125.91 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' A' ' 43' ' ' ILE . 95.7 mt -79.17 -43.79 23.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.02 -49.38 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.65 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.15 -64.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.7 m -53.26 -58.56 6.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.074 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 39' ' ' LEU . 58.6 mt -57.34 -42.9 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.087 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.77 -45.72 54.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.788 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -74.47 -32.63 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.235 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -56.23 -44.47 79.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.478 -179.419 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' B' ' 49' ' ' GLN . 63.7 mt -48.74 -51.19 30.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -76.03 -31.33 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -49.72 -43.72 47.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' HB3' ' HD3' ' B' ' 48' ' ' LYS . 24.1 t-20 -53.26 -46.67 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.432 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.09 128.83 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -175.22 128.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -177.97 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.852 179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.501 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 2.4 pt20 -67.65 143.16 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.452 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.708 HD12 HG23 ' B' ' 17' ' ' VAL . 40.9 pt -138.86 138.12 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.565 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -80.1 138.35 36.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.988 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.68 77.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.056 0.455 . . . . 0.0 110.685 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.6 ttpt -80.48 133.68 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -70.23 -150.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.644 HD21 HG13 ' B' ' 70' ' ' VAL . 30.2 tp -105.78 41.86 1.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.338 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -150.15 -53.37 0.15 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.78 -40.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.716 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.2 tttp -52.66 131.35 34.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.9 m -121.12 136.05 55.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -117.13 121.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.523 HG22 ' N ' ' B' ' 15' ' ' LEU . 87.8 m -88.29 142.94 27.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.56 HD21 ' HZ2' ' B' ' 33' ' ' LYS . 7.9 mt -147.92 136.23 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 111.102 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.17 130.24 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.758 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.708 HG23 HD12 ' B' ' 3' ' ' ILE . 26.9 m -151.6 142.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 56' ' ' LEU . 0.3 OUTLIER -66.32 147.04 53.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.37 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -63.44 -45.67 89.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -87.05 25.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 39.1 t70 -77.13 -126.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.451 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.6 t -174.73 140.48 0.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.678 0.275 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.617 HD12 HD11 ' B' ' 50' ' ' LEU . 50.2 mm -52.24 -38.7 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.495 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 65.1 t0 -56.04 -47.81 77.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.463 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.61 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 49.9 t30 -62.97 -40.47 97.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.439 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 30' ' ' ILE . 50.5 t -57.14 -48.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.597 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.61 -37.51 86.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -58.65 -44.82 90.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.413 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.61 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 97.6 mttt -64.4 -44.1 92.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.7 mt -60.97 -37.98 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.597 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.471 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 41.4 tt0 -64.53 -46.83 81.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.251 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.34 -43.48 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.602 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.56 ' HZ2' HD21 ' B' ' 15' ' ' LEU . 87.2 tttt -70.86 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.83 -42.47 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.79 45.62 5.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.922 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.8 mt -124.53 133.95 25.17 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.456 0.169 . . . . 0.0 110.79 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.518 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 50.6 Cg_exo -54.31 134.61 61.79 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.438 2.092 . . . . 0.0 112.343 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 37.2 Cg_endo -65.41 -40.54 18.36 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.659 2.24 . . . . 0.0 112.528 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -57.34 -39.58 76.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 8.2 tt0 -74.39 -52.96 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.387 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.1 pt20 -69.67 132.52 46.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.949 0.404 . . . . 0.0 111.427 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' B' ' 42' ' ' ARG . 8.3 mmp_? -111.52 112.71 24.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.926 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.479 HD21 HD12 ' B' ' 50' ' ' LEU . 52.3 tp -83.84 82.6 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.759 HG12 HD21 ' A' ' 47' ' ' LEU . 83.1 mt -82.09 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 112.029 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.516 ' CE2' HG12 ' B' ' 61' ' ' ILE . 51.7 t80 -161.93 138.21 7.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.35 34.9 23.02 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.431 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 58.64 32.14 68.72 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.962 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 50' ' ' ASN . 26.5 mmmt -154.5 138.07 16.0 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.676 0.274 . . . . 0.0 110.857 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.799 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -69.13 124.52 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.258 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.617 HD11 HD12 ' B' ' 23' ' ' ILE . 47.3 mt -69.23 125.21 25.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.599 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -82.07 140.36 33.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.437 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 1.5 m-20 -66.62 141.76 57.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.495 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 101.46 -37.25 3.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.954 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.538 ' O ' HG12 ' B' ' 23' ' ' ILE . 47.8 mmt-85 -70.21 130.13 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 111.535 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.3 p -71.26 154.84 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.725 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.9 mt -52.1 -38.67 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -54.88 -36.8 65.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.837 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -54.57 -56.01 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.538 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.479 ' HB2' HG13 ' B' ' 61' ' ' ILE . 30.5 m-85 -79.9 16.92 1.04 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.695 0.283 . . . . 0.0 110.935 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.7 t30 48.89 36.51 8.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.516 HG12 ' CE2' ' B' ' 45' ' ' PHE . 62.0 mt -71.09 123.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -80.95 -141.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -111.37 143.74 41.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.631 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.501 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 49.7 mt-10 59.23 33.43 22.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.699 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -73.15 139.78 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.565 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 82.7 m -80.21 128.3 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 98.9 mt -120.59 128.71 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.158 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 45.2 m170 -93.02 135.6 34.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 111.949 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.445 HD22 ' C ' ' B' ' 69' ' ' LEU . 6.3 tt -115.32 131.37 56.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.683 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.644 HG13 HD21 ' B' ' 8' ' ' LEU . 58.5 t -137.99 118.86 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.52 HD11 ' HA2' ' B' ' 76' ' ' GLY . 94.3 mt -76.2 138.78 40.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 77.0 mtp180 -66.65 -50.4 63.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.92 132.04 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.19 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.53 ' HA ' HH11 ' B' ' 74' ' ' ARG . 3.5 mmm180 -60.26 132.05 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.82 45.64 96.09 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.52 ' HA2' HD11 ' B' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -1.29 . . . . 0.0 112.639 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 6' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -54.94 -46.24 74.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -172.54 45.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -65.36 -24.89 67.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.195 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.3 mm-40 -51.43 -38.27 52.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.607 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -58.39 -48.02 81.99 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 58.8 mttp -61.69 -39.62 92.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.439 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.56 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.8 tp -58.49 -40.25 82.26 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.488 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.51 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 54.0 m -59.9 -45.2 93.3 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.294 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 19' ' ' MET . 28.0 mm -52.71 -46.07 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 97.5 mt -61.79 -38.25 87.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.818 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 59.7 mtt -53.25 -51.76 61.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.279 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 38.9 t70 -82.26 -26.58 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.964 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.616 ' HE3' ' HB3' ' B' ' 68' ' ' HIS . 48.6 tpp -63.01 -36.1 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 33.8 m-85 -137.99 71.79 48.19 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.2 Cg_exo -52.34 -37.49 71.61 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.689 2.259 . . . . 0.0 112.497 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.08 32.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.684 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' H ' ' C ' ' A' ' 21' ' ' PRO . 70.8 mt -148.67 133.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.722 0.296 . . . . 0.0 110.829 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -60.93 139.56 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.648 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -59.48 -38.14 80.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -54.18 -46.26 72.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.66 -47.09 87.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 16' ' ' LEU . 87.8 mt -58.01 -38.36 76.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.589 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 tt0 -62.91 -43.15 99.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.329 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.2 t -59.15 -51.75 68.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' HB3' HG21 ' A' ' 42' ' ' THR . 89.5 m-70 -59.92 -41.85 92.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 37' ' ' ASN . 55.9 tp -58.94 -47.11 86.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -60.88 -46.38 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.743 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.5 -45.83 91.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.001 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' OD1' HD21 ' A' ' 41' ' ' LEU . 75.8 m-20 -79.66 35.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.45 39.17 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.755 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.63 ' HA ' HD13 ' A' ' 32' ' ' LEU . 3.0 m120 56.66 41.63 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.634 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -104.76 129.85 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 12' ' ' LYS . 71.6 mt -79.01 -44.84 21.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.699 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -55.1 -48.55 73.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.659 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD21 ' OD1' ' A' ' 35' ' ' ASN . 4.0 tt -69.82 -59.03 3.19 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 111.027 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD21 ' A' ' 46' ' ' LEU . 69.8 m -51.33 -60.48 3.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.4 mt -59.43 -36.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.08 -51.65 34.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD11 HD23 ' A' ' 41' ' ' LEU . 7.4 mp -73.3 -39.6 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.641 0.258 . . . . 0.0 111.05 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 3.8 mm? -51.56 -43.19 62.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.63 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.594 HD12 ' NH2' ' B' ' 42' ' ' ARG . 79.0 mt -60.97 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.701 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -87.2 34.55 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.364 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.99 -50.0 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -80.77 48.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -61.31 134.0 56.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.08 135.23 57.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.83 133.23 53.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.802 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 24.2 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.919 0.39 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.429 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 5.3 mp0 -114.41 138.11 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.711 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.8 pt -129.91 137.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.523 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.0 m-85 -77.22 137.94 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.447 ' CG2' HD22 ' B' ' 15' ' ' LEU . 42.5 t -137.1 78.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 37.7 ttpt -79.97 137.22 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.732 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -80.65 163.57 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.52 HD22 HG11 ' B' ' 70' ' ' VAL . 20.6 tp -77.26 52.9 0.96 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -158.01 -55.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.58 58.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.074 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -161.57 115.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.8 m -93.12 134.97 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.475 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.767 HG22 HD21 ' B' ' 15' ' ' LEU . 65.8 mt -120.77 124.36 72.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.657 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 36.3 m -86.85 115.8 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.862 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.767 HD21 HG22 ' B' ' 13' ' ' ILE . 3.7 mm? -113.65 131.59 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -81.51 137.37 35.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' B' ' 1' ' ' MET . 7.8 p -177.23 131.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.641 ' HG2' ' HB2' ' B' ' 21' ' ' ASP . 7.3 pm0 -68.53 149.02 49.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.756 ' HA ' HD13 ' B' ' 56' ' ' LEU . 50.8 m -58.75 -42.47 88.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.4 t -80.26 35.61 0.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.474 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.641 ' HB2' ' HG2' ' B' ' 18' ' ' GLU . 9.9 t0 -99.65 -122.15 0.15 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 6.3 t -172.55 140.74 1.07 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.717 0.294 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.587 HG12 ' O ' ' B' ' 54' ' ' ARG . 45.6 mm -51.41 -38.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.401 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -51.2 -42.27 60.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.45 -41.61 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.329 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.5 t -56.88 -48.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.295 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.2 mptm? -61.94 -36.58 81.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -61.83 -50.02 73.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.99 -45.92 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.2 mt -60.0 -39.56 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.673 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.624 HE21 ' HD3' ' B' ' 38' ' ' PRO . 50.8 tt0 -64.21 -45.24 89.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.721 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.77 -45.2 68.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.626 ' HB2' ' NZ ' ' B' ' 33' ' ' LYS . 4.7 ttmp? -64.88 -61.62 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -72.01 -39.0 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.748 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.83 29.4 47.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.116 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.9 mt -87.93 133.93 36.36 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.04 134.38 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.297 1.998 . . . . 0.0 112.083 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.624 ' HD3' HE21 ' B' ' 31' ' ' GLN . 14.4 Cg_endo -57.13 -45.41 35.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.386 2.058 . . . . 0.0 111.707 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -83.29 40.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 34.5 tt0 -162.19 35.23 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 110.693 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.37 146.35 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.594 ' NH2' HD12 ' A' ' 47' ' ' LEU . 74.9 mtp180 -144.0 122.57 12.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.368 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.4 mm? -83.71 123.65 30.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.333 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.536 HG23 ' N ' ' B' ' 45' ' ' PHE . 60.3 mt -111.91 144.25 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.683 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.536 ' N ' HG23 ' B' ' 44' ' ' ILE . 32.2 t80 -155.27 141.91 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.689 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.81 -64.48 0.35 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 110.55 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.65 24.08 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.018 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.586 ' HA ' HD21 ' A' ' 47' ' ' LEU . 39.1 ttpt -173.42 156.04 2.96 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 16.9 pt20 -59.57 138.14 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 HD21 ' B' ' 67' ' ' LEU . 96.2 mt -70.03 133.09 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 49.3 mt-10 -68.52 133.83 49.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.03 50.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.484 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.85 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.425 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.587 ' O ' HG12 ' B' ' 23' ' ' ILE . 39.4 mmt180 -150.91 135.08 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 74.5 p -63.78 156.03 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.756 HD13 ' HA ' ' B' ' 19' ' ' SER . 97.3 mt -53.41 -38.8 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 85.8 p -56.62 -28.35 60.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.491 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.3 -56.56 12.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' OH ' ' HG3' ' B' ' 51' ' ' GLU . 25.3 m-85 -82.46 30.96 0.4 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 0.0 111.065 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 49.88 34.67 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.495 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.54 118.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.36 -67.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 111.195 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.628 ' HB3' ' HZ2' ' B' ' 63' ' ' LYS . 0.2 OUTLIER 179.2 148.64 0.24 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.596 ' OE1' ' HG3' ' B' ' 63' ' ' LYS . 3.9 mp0 58.67 35.94 24.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 53.6 m -77.9 137.15 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.892 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.523 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 62.4 m -79.98 129.99 34.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.544 HD21 HD12 ' B' ' 50' ' ' LEU . 85.5 mt -122.27 126.59 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.777 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.616 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 41.7 m170 -92.55 131.0 38.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.881 0.372 . . . . 0.0 111.922 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -109.03 106.7 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.52 HG11 HD22 ' B' ' 8' ' ' LEU . 78.2 t -92.63 122.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 57.1 tp -81.75 130.58 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.493 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -74.58 124.89 27.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.149 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.423 ' N ' ' HD3' ' B' ' 72' ' ' ARG . 94.5 mt -82.86 126.94 33.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -73.56 141.99 46.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 44.5 0.17 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.518 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 49.6 t30 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.467 0.175 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 6' ' ' ASN . 58.2 m-20 75.57 -42.32 0.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.503 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 58.85 43.21 18.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.517 ' ND1' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.47 -22.89 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.637 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.3 -39.39 45.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.332 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.481 ' OG ' HG22 ' B' ' 9' ' ' THR . 46.7 t -63.64 -43.49 96.63 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.7 mmtt -62.4 -36.45 82.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.151 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.4 tp -60.74 -40.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.001 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 17' ' ' MET . 48.9 m -59.4 -42.93 92.9 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' MET . 37.0 mm -53.64 -46.51 61.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB3' HD11 ' A' ' 28' ' ' LEU . 94.2 mt -60.67 -37.21 80.84 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.56 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 84.7 mtp -55.9 -51.72 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.482 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 37.8 t70 -81.8 -26.13 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.59 ' HE2' ' HB3' ' B' ' 68' ' ' HIS . 46.0 tpp -65.45 -37.96 88.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.88 69.53 58.09 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.018 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 8.0 Cg_endo -50.5 -40.79 54.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.734 2.289 . . . . 0.0 112.28 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.68 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.475 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.713 HG22 ' HD3' ' A' ' 27' ' ' LYS . 68.7 mt -66.38 139.45 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -63.47 145.22 56.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.273 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -59.01 -47.08 86.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.6 m -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.713 ' HD3' HG22 ' A' ' 23' ' ' ILE . 60.7 tttm -58.94 -44.56 91.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 16' ' ' LEU . 93.6 mt -59.81 -42.82 94.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.877 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 53.7 tt0 -61.01 -42.46 98.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.701 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 98.2 t -59.29 -52.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.2 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 89.0 m-70 -57.22 -48.09 79.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 37' ' ' ASN . 60.7 tp -54.39 -43.7 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.0 mt -67.25 -34.55 77.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.798 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 49.3 mt-10 -55.81 -56.74 16.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.589 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 2.9 m120 -61.92 -71.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.342 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.589 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 16.7 t-20 167.76 42.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.6 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 72.6 m-20 57.45 40.79 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.83 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -121.83 133.28 54.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.632 ' HB3' HD12 ' A' ' 43' ' ' ILE . 92.6 mt -72.51 -40.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.777 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.6 -50.62 67.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 45' ' ' LEU . 8.5 mp -74.17 -55.08 6.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 76.8 m -55.01 -54.87 37.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.455 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 39' ' ' LEU . 58.7 mt -68.29 -38.71 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.73 -50.74 30.67 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.192 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 41' ' ' LEU . 7.8 mp -77.72 -30.98 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.712 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -57.34 -45.26 84.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.702 -179.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' B' ' 48' ' ' LYS . 69.1 mt -54.97 -47.06 75.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.907 0.384 . . . . 0.0 111.133 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.65 -42.19 87.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -63.93 -45.02 91.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.26 -30.85 69.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -49.02 -40.69 31.95 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -168.46 130.08 1.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.52 -46.11 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.524 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' B' ' 16' ' ' GLU . 11.0 mm100 -114.62 155.6 26.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 2' ' ' GLN . 34.7 pt -141.67 126.14 16.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.55 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 1.5 m-85 -98.06 95.47 7.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.828 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.405 HG11 ' HB2' ' B' ' 69' ' ' LEU . 25.5 t -78.75 77.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 1.7 tmtp? -79.03 123.8 27.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.91 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 9' ' ' THR . 68.8 p -73.1 151.38 41.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.629 HD12 HG21 ' B' ' 70' ' ' VAL . 86.1 mt -48.04 87.59 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.481 HG22 ' OG ' ' A' ' 11' ' ' SER . 33.1 m 58.97 69.65 0.71 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.33 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 -113.02 0.29 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.349 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.525 ' HE3' HG12 ' B' ' 13' ' ' ILE . 55.3 tttp -90.14 130.97 36.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.635 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 57.6 m -99.94 107.38 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.525 HG12 ' HE3' ' B' ' 11' ' ' LYS . 59.5 mt -90.11 98.65 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.58 HG23 ' N ' ' B' ' 15' ' ' LEU . 95.5 m -79.12 142.18 36.64 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.58 ' N ' HG23 ' B' ' 14' ' ' THR . 11.4 mt -149.95 141.0 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.452 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' B' ' 2' ' ' GLN . 38.9 tt0 -90.14 133.69 34.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.8 m -152.71 134.46 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.007 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.63 146.51 54.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -77.68 42.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.71 38.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.016 0.436 . . . . 0.0 110.749 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.536 ' O ' HG22 ' B' ' 55' ' ' THR . 64.4 m-20 -108.03 -120.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.678 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.409 HG22 ' HB2' ' B' ' 25' ' ' ASN . 7.7 t -166.57 143.74 4.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.545 HG21 ' O ' ' B' ' 51' ' ' GLU . 45.6 mm -52.31 -43.25 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.94 -40.48 66.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 23.3 t-20 -60.28 -41.61 93.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.76 -48.97 86.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HD2' ' OD2' ' B' ' 52' ' ' ASP . 99.3 mttt -60.89 -42.47 98.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.8 p -59.39 -43.26 92.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 28.9 mtpp -60.12 -43.31 95.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.152 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.475 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 69.5 mt -62.18 -39.47 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.431 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 52.1 tt0 -62.29 -49.29 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.69 -45.72 85.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.79 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.28 -62.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' B' ' 30' ' ' ILE . 7.7 mp0 -71.24 -42.18 69.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.06 49.36 3.8 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.174 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -133.75 134.46 23.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.554 0.216 . . . . 0.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.4 Cg_exo -54.65 138.06 74.85 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.622 2.214 . . . . 0.0 112.625 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.55 -40.22 68.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.85 2.367 . . . . 0.0 112.717 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.92 -46.85 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.299 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.518 ' HB3' HD11 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -64.34 -50.57 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.614 ' HB2' HD13 ' B' ' 69' ' ' LEU . 19.3 pt20 -70.66 140.34 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -130.45 124.47 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.553 HD23 HD11 ' B' ' 69' ' ' LEU . 92.3 mt -96.78 83.07 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.779 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.544 HG12 HD22 ' A' ' 47' ' ' LEU . 63.8 mt -81.74 142.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HE2' HG12 ' B' ' 61' ' ' ILE . 20.1 t80 -162.75 142.84 9.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.89 -30.64 0.21 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.713 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 163.16 -14.15 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.311 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.599 ' HA ' HD21 ' A' ' 47' ' ' LEU . 23.6 pttm -164.26 163.21 22.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.894 0.378 . . . . 0.0 111.377 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 3.4 tm0? -52.6 135.48 34.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.466 ' O ' HG13 ' B' ' 23' ' ' ILE . 87.1 mt -75.45 44.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.545 ' O ' HG21 ' B' ' 23' ' ' ILE . 50.4 mt-10 51.67 -166.59 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.478 ' OD2' ' HD2' ' B' ' 27' ' ' LYS . 9.7 t0 -145.4 52.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.067 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.25 48.8 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.403 ' C ' HG21 ' B' ' 55' ' ' THR . 39.7 mmt180 -141.11 -144.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.464 0.173 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.536 HG22 ' O ' ' B' ' 21' ' ' ASP . 73.0 p -150.49 147.21 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.482 HD22 HD13 ' B' ' 61' ' ' ILE . 98.2 mt -53.7 -41.01 66.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -62.91 -34.59 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.348 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.33 -50.57 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.268 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 61' ' ' ILE . 18.0 m-85 -79.35 19.8 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 46.5 37.34 4.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.539 HG12 ' HE2' ' B' ' 45' ' ' PHE . 71.4 mt -67.71 128.91 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HE2' ' B' ' 1' ' ' MET . 46.7 tt0 -66.86 -114.9 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.157 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 19.4 ptpt -154.55 153.91 32.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.529 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 11.7 pt-20 46.83 32.9 1.94 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.167 0.508 . . . . 0.0 110.703 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -75.71 137.26 40.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.828 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.55 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.9 m -83.2 100.86 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.47 ' N ' HD13 ' B' ' 67' ' ' LEU . 9.1 mp -86.61 135.82 33.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.59 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 43.0 m170 -86.32 134.29 33.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.009 0.433 . . . . 0.0 111.968 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.614 HD13 ' HB2' ' B' ' 41' ' ' GLN . 59.3 tp -109.16 133.85 52.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.078 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 HD12 ' B' ' 8' ' ' LEU . 47.8 t -135.37 124.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.931 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 40' ' ' GLN . 47.9 tp -94.81 130.51 41.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.098 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 74.9 mtt-85 -67.21 131.09 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.396 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.99 126.17 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.505 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 57.29 -86.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.261 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.96 136.01 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.558 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.531 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -167.86 -143.93 0.05 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 55.16 46.6 23.56 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.022 0.439 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.816 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.91 -23.85 60.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.2 pt-20 -50.5 -39.0 47.3 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.183 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -58.43 -48.06 81.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.391 0.615 . . . . 0.0 109.397 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 67.1 mttm -62.11 -39.17 91.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.425 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.3 tp -59.15 -39.27 81.92 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.475 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.411 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 46.8 t -60.65 -44.56 96.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.21 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.9 mm -56.17 -40.67 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD21 ' HE2' ' A' ' 20' ' ' PHE . 97.1 mt -61.7 -41.2 97.27 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.466 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.529 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 mtp -54.93 -53.78 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 9.9 t0 -74.5 -31.25 62.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.67 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.578 ' HE3' ' HB3' ' B' ' 68' ' ' HIS . 59.8 tpp -56.75 -38.54 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' HE2' HD21 ' A' ' 16' ' ' LEU . 4.3 m-85 -130.48 110.71 16.33 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.76 57.11 5.92 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.826 2.351 . . . . 0.0 112.382 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 23' ' ' ILE . . . -161.75 -46.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.909 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.685 HG22 ' HD3' ' A' ' 27' ' ' LYS . 4.3 mp -74.44 132.04 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.96 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.7 m -68.82 154.38 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 55.6 mtpt -55.77 -39.52 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -58.13 -49.62 76.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.619 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' HD3' HG22 ' A' ' 23' ' ' ILE . 88.5 tttt -60.61 -50.34 73.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' HG ' HG23 ' A' ' 23' ' ' ILE . 95.9 mt -56.82 -40.62 76.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.71 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.9 tt0 -58.99 -45.45 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.969 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 t -58.31 -44.58 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' HE2' ' HE2' ' A' ' 27' ' ' LYS . 91.3 m-70 -59.67 -46.2 89.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.291 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -63.16 -43.51 98.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.036 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.9 mt -58.08 -45.37 87.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 59.9 mm-40 -64.45 -45.48 87.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.644 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -79.36 28.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' GLU . 5.4 m120 63.12 -72.62 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.927 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 25.9 t-20 178.09 72.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -153.8 127.98 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 8' ' ' LEU . 92.8 mt -77.69 -39.86 43.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.429 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.9 -45.78 74.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.31 -61.23 1.93 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 111.01 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.419 HG23 ' HB3' ' A' ' 31' ' ' HIS . 63.0 m -51.86 -62.94 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.175 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.9 mt -55.69 -39.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.62 -45.11 47.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.457 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 45' ' ' LEU . 7.4 tt -69.97 -40.12 75.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.343 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.32 -49.55 74.0 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' B' ' 49' ' ' GLN . 74.2 mt -53.96 -49.49 68.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.905 0.383 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -82.92 43.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.459 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -56.2 -34.68 66.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.074 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -157.32 48.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.95 138.4 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.845 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.48 131.98 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -64.65 136.72 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.432 ' SD ' ' HB3' ' B' ' 19' ' ' SER . 27.4 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.888 0.375 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.446 ' OE1' ' HB3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -145.94 -179.02 6.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.378 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.545 HG12 ' HB ' ' B' ' 17' ' ' VAL . 7.0 pt -146.19 137.1 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.662 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' B' ' 64' ' ' GLU . 2.7 m-85 -77.9 143.24 37.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.37 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.402 HG11 ' CD1' ' B' ' 30' ' ' ILE . 61.9 t -133.17 80.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.352 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 65.1 tttp -78.29 121.74 24.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.842 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.535 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 82.7 p -73.77 149.02 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.482 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 69' ' ' LEU . 30.2 tp -51.58 -39.69 58.37 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.339 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -74.16 -59.93 2.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.535 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 161.47 103.16 0.18 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.912 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.554 ' HB2' ' NZ ' ' B' ' 11' ' ' LYS . 4.9 ttmp? 177.67 117.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.617 0.246 . . . . 0.0 110.684 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -90.06 76.51 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.383 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.467 HG13 ' HG2' ' B' ' 11' ' ' LYS . 61.9 mt -75.91 112.68 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.509 HG21 ' N ' ' B' ' 15' ' ' LEU . 82.4 m -92.89 142.29 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.624 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.509 ' N ' HG21 ' B' ' 14' ' ' THR . 12.3 mt -141.69 142.82 33.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.837 0.351 . . . . 0.0 111.261 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.88 124.85 26.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.885 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.545 ' HB ' HG12 ' B' ' 3' ' ' ILE . 40.9 t -150.32 129.86 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.426 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' B' ' 20' ' ' SER . 42.0 mm-40 -72.6 160.72 31.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.065 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.432 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 71.5 p -76.09 27.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 18' ' ' GLU . 87.6 p -165.1 28.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 38.8 t70 -76.09 -121.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.217 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -173.77 138.71 0.66 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.252 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.5 mm -54.66 -41.5 56.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.554 ' H ' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -53.7 -44.78 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' HB3' ' OD2' ' B' ' 21' ' ' ASP . 22.7 t-20 -58.25 -42.67 86.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.446 HG21 HD13 ' B' ' 3' ' ' ILE . 47.9 t -55.99 -47.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.298 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.482 ' HZ3' HG23 ' B' ' 23' ' ' ILE . 63.4 mttp -61.36 -36.45 80.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 m -59.87 -51.17 70.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.39 -46.74 88.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.835 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.402 ' CD1' HG11 ' B' ' 5' ' ' VAL . 72.8 mt -61.29 -37.89 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.77 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -46.03 91.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.297 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -67.51 -47.17 70.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.793 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.84 -61.59 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.07 -41.62 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.894 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.53 3.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.386 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -132.43 132.88 23.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.467 0.175 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' B' ' 40' ' ' GLN . 10.0 Cg_endo -53.15 138.73 63.22 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.608 2.205 . . . . 0.0 112.112 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.38 -44.55 48.43 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.767 2.311 . . . . 0.0 112.404 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.86 -40.71 93.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' B' ' 72' ' ' ARG . 70.7 tp60 -64.15 -50.6 67.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.188 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' B' ' 69' ' ' LEU . 3.2 pt20 -74.49 138.83 43.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.621 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.569 HH21 ' HG2' ' B' ' 72' ' ' ARG . 12.7 ptp180 -130.49 128.24 40.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.46 HD21 HD12 ' B' ' 69' ' ' LEU . 83.6 mt -90.33 138.26 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' A' ' 19' ' ' MET . 91.6 mt -127.06 138.94 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.209 0.528 . . . . 0.0 111.311 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -163.76 140.87 7.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.389 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 34.01 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 59.38 32.22 72.06 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.905 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.439 ' HG2' ' C ' ' B' ' 47' ' ' GLY . 26.7 mmmt -153.85 138.56 17.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.594 0.235 . . . . 0.0 110.794 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.801 ' HB3' HD11 ' A' ' 47' ' ' LEU . 15.9 pt20 -66.22 125.89 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.407 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 mt -78.18 128.09 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -78.2 136.32 37.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.341 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 50.2 p-10 -64.34 150.88 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.554 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 86.65 -32.11 4.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.727 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.592 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.4 mmt-85 -65.17 134.2 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.491 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -72.22 150.22 43.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.717 HD21 HD12 ' B' ' 61' ' ' ILE . 72.2 mt -54.36 -38.33 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -54.45 -34.98 62.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.804 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -53.33 -53.87 44.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -85.25 28.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.94 39.18 13.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.717 HD12 HD21 ' B' ' 56' ' ' LEU . 67.3 mt -73.53 121.7 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -80.18 -69.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.583 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -177.94 152.16 0.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.205 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.528 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . 16.8 pt-20 44.72 37.54 2.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -69.32 143.99 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.515 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 89.8 m -86.59 123.57 31.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.463 HD13 ' C ' ' B' ' 66' ' ' THR . 6.8 mp -119.24 131.84 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.295 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.619 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -93.9 127.21 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.002 0.43 . . . . 0.0 112.121 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' B' ' 8' ' ' LEU . 60.3 tp -94.11 136.99 33.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.851 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 87.5 t -142.1 144.95 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.884 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' B' ' 71' ' ' LEU . 89.3 mt -78.27 141.73 38.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.591 ' HB2' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -72.23 -116.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.228 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' B' ' 72' ' ' ARG . 54.7 tp -59.36 139.86 56.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.625 0.25 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -67.98 -141.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.02 136.54 0.06 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.839 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.577 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.723 0.297 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.16 135.28 57.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.518 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -166.89 33.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.479 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.77 -23.42 58.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 16.1 pt-20 -50.25 -35.95 29.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 14' ' ' SER . 67.6 m -59.82 -49.84 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.16 -42.46 77.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.113 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 17' ' ' MET . 53.6 tp -60.73 -35.99 77.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.771 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -58.89 -48.76 80.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.499 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.803 HG21 HD22 ' B' ' 8' ' ' LEU . 2.1 mp -57.53 -40.62 75.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.645 ' HB3' HD11 ' A' ' 28' ' ' LEU . 77.1 mt -60.5 -45.62 93.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 81.9 mtp -55.95 -51.45 67.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -71.72 -30.46 65.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.968 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' HG23 ' B' ' 44' ' ' ILE . 60.0 tpp -60.75 -45.77 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.918 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 106.41 47.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.652 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.26 50.11 3.43 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.702 2.268 . . . . 0.0 112.596 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.92 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.521 HG23 ' HG ' ' A' ' 28' ' ' LEU . 64.4 mt -62.59 132.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -63.16 140.04 58.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -56.34 -39.97 73.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 t -58.71 -45.9 88.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' NZ ' ' HE2' ' A' ' 31' ' ' HIS . 62.4 tttm -59.19 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 16' ' ' LEU . 97.1 mt -56.84 -41.52 78.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.717 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB2' HD21 ' A' ' 13' ' ' LEU . 8.5 tt0 -61.44 -42.7 99.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.01 -47.74 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.483 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 93.5 m-70 -61.17 -40.07 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 37' ' ' ASN . 30.3 tp -62.66 -42.97 99.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.17 -47.29 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.582 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.67 -50.85 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.356 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.421 HD21 ' HG1' ' A' ' 42' ' ' THR . 75.0 m-20 -85.12 32.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.185 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 64.9 -71.89 0.07 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.332 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.702 ' HA ' HD11 ' A' ' 32' ' ' LEU . 49.2 t30 -179.09 33.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.9 mt -88.84 -45.13 9.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.839 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.63 -48.03 82.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.56 -56.95 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 0.0 111.033 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.62 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 94.3 m -55.74 -60.63 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 62.3 mt -58.84 -39.12 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.45 -48.91 53.83 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.4 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 45' ' ' LEU . 7.5 tt -69.09 -40.76 78.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 42' ' ' THR . 87.4 mt -55.92 -36.94 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.202 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' B' ' 48' ' ' LYS . 90.0 mt -52.37 -43.64 64.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 1.7 mmmp? -81.36 41.22 0.6 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.452 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -57.19 -36.3 70.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -164.22 -50.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' OD1' ' HA ' ' A' ' 48' ' ' LYS . 1.4 m-20 54.69 -132.65 1.81 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 66.47 136.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.039 0.447 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HD2' ' H ' ' A' ' 53' ' ' LYS . 10.6 mptt -63.91 131.03 46.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.944 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.541 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.1 pt20 -137.56 137.71 38.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.82 140.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.52 142.97 32.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.459 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.8 t -127.07 78.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.177 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.685 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 49.6 tttm -69.29 126.58 30.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.468 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 82.7 p -91.81 150.04 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.803 HD22 HG21 ' A' ' 15' ' ' ILE . 96.2 mt -47.93 -38.7 17.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 110.542 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.415 ' HG1' ' N ' ' B' ' 10' ' ' GLY . 70.8 p -63.1 -57.65 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.573 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.468 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 149.4 63.14 0.01 OUTLIER Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.259 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.603 ' NZ ' HG12 ' B' ' 13' ' ' ILE . 61.0 tttm -155.78 118.71 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.047 0.424 . . . . 0.0 111.28 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.578 HG23 ' HB2' ' B' ' 6' ' ' LYS . 76.8 p -91.57 78.19 5.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.648 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.603 HG12 ' NZ ' ' B' ' 11' ' ' LYS . 57.3 mt -61.02 121.6 9.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.773 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 78.8 m -90.91 133.16 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.573 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.561 HD22 HG22 ' B' ' 13' ' ' ILE . 3.8 mm? -131.21 149.41 52.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.464 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 89.1 tt0 -93.52 126.51 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.574 HG13 HG22 ' B' ' 26' ' ' VAL . 31.4 m -152.12 137.8 11.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.943 0.401 . . . . 0.0 111.368 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' B' ' 20' ' ' SER . 5.4 tp10 -66.61 146.61 54.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.5 m -55.24 -40.48 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.662 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.481 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 54.9 m -97.84 35.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.555 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.9 t -172.94 143.51 1.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.532 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.7 mm -52.88 -38.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.56 -44.35 76.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 25.5 t-20 -60.59 -43.17 97.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.574 HG22 HG13 ' B' ' 17' ' ' VAL . 55.8 t -59.2 -46.01 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -61.87 -46.14 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.2 mtpp -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.17 -34.63 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.063 0.459 . . . . 0.0 110.419 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.463 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 7.5 tt0 -60.84 -49.63 76.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.55 -41.9 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.486 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.02 -60.74 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.934 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -79.81 -40.54 28.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.875 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.72 44.95 3.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.16 133.85 24.28 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.437 0.16 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 69.7 Cg_exo -50.85 137.8 42.72 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 0.0 112.055 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.9 Cg_endo -59.42 -45.1 28.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.592 2.195 . . . . 0.0 112.511 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.77 -44.12 97.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.481 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 42.5 tt0 -61.43 -55.51 30.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.477 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -67.57 143.69 55.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.694 HH21 HG13 ' B' ' 70' ' ' VAL . 85.4 mtm180 -137.5 124.49 21.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.698 HD21 HD12 ' B' ' 69' ' ' LEU . 87.4 mt -93.53 88.02 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.598 HG23 ' SD ' ' A' ' 19' ' ' MET . 89.4 mt -81.6 141.43 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.253 0.549 . . . . 0.0 111.515 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.458 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.2 t80 -165.14 151.61 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.542 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.72 19.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.334 0.588 . . . . 0.0 109.97 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.23 30.83 76.02 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 113.633 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.557 ' HA ' HD23 ' A' ' 47' ' ' LEU . 38.6 ttpt -173.11 146.11 1.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.206 0.503 . . . . 0.0 111.945 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.462 HE22 ' HA ' ' B' ' 42' ' ' ARG . 3.4 tp60 -54.56 127.32 27.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.032 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.458 HD21 ' HB3' ' B' ' 45' ' ' PHE . 79.1 mt -76.3 132.02 39.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 93.9 mt-10 -69.56 131.07 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.51 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.41 -41.57 94.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.988 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.79 50.75 4.32 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.745 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.691 ' HA ' ' HE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -149.4 133.07 16.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 64.8 p -74.56 155.02 38.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.28 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' B' ' 61' ' ' ILE . 95.0 mt -52.96 -41.01 64.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.2 m -56.48 -33.35 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.632 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -51.83 -56.17 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.603 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.448 ' HB2' HG13 ' B' ' 61' ' ' ILE . 31.1 m-85 -85.53 25.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 48.14 35.92 5.93 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.5 mt -69.1 129.57 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.464 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.88 155.82 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.407 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -48.9 147.76 2.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.541 ' OE1' ' HG3' ' B' ' 2' ' ' GLN . 4.4 mm-40 64.97 38.21 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.23 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -70.03 137.73 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.37 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 46.3 m -85.84 74.6 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.92 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.9 mt -85.22 127.8 34.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.58 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.588 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 44.7 m170 -94.96 130.63 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 111.796 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.698 HD12 HD21 ' B' ' 43' ' ' LEU . 62.4 tp -100.75 135.67 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.83 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.694 HG13 HH21 ' B' ' 42' ' ' ARG . 92.5 t -140.61 127.46 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.052 0.453 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' B' ' 71' ' ' LEU . 85.5 mt -78.96 144.76 34.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.323 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 52.1 ttp180 -61.76 167.1 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.635 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.449 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 60.2 tp -54.88 136.76 46.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' B' ' 74' ' ' ARG . 51.3 mtp85 -149.02 -45.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.22 -132.18 1.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.422 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.265 -1.297 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.577 0.227 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -173.91 -147.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.596 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.2 33.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.736 0.303 . . . . 0.0 111.003 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -77.12 -23.35 51.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.465 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 16.3 pt-20 -50.18 -40.02 45.64 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.815 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -61.96 -47.65 83.92 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mmtt -57.97 -35.23 70.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.259 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 49.5 tp -63.39 -43.1 98.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.3 p -60.11 -46.67 88.84 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 HD11 ' B' ' 8' ' ' LEU . 1.7 mp -56.39 -40.2 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.84 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 72.9 mt -61.7 -41.71 97.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.817 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.0 mtt -57.64 -51.29 70.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -71.08 -33.63 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.582 ' SD ' HG23 ' B' ' 44' ' ' ILE . 61.7 tpp -60.79 -42.6 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.983 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' HE2' HD21 ' A' ' 16' ' ' LEU . 18.2 m-85 -122.96 99.98 40.63 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.31 49.98 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.771 2.314 . . . . 0.0 112.732 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.19 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.677 0.275 . . . . 0.0 111.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG23 ' HG ' ' A' ' 28' ' ' LEU . 64.0 mt -59.07 134.19 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.252 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.3 p -61.19 140.47 57.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.43 -41.93 77.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -57.02 -45.32 83.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.62 -50.29 74.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.554 ' HG ' HG23 ' A' ' 23' ' ' ILE . 97.9 mt -56.89 -39.24 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.1 tt0 -64.11 -42.2 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.683 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.54 -50.72 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -60.66 -43.34 97.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 110.76 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 37' ' ' ASN . 37.7 tp -60.01 -41.43 92.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.061 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 94.9 mt -65.17 -46.3 81.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.536 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.12 -54.13 49.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.556 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.52 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 75.5 m-80 -82.7 35.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.29 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 63.29 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.486 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.624 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -178.95 34.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' ' 35' ' ' ASN . 2.3 p30 -90.94 134.3 34.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.989 0.423 . . . . 0.0 111.132 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.737 HD11 HD11 ' B' ' 8' ' ' LEU . 93.6 mt -92.35 -42.66 9.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.443 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 65.4 tp -69.73 -54.75 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 90.1 m -56.49 -56.9 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.408 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.51 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 65.7 mt -60.77 -41.94 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.53 -46.21 53.3 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.915 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.3 -38.48 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.8 mt -61.89 -41.76 98.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.865 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.576 HD23 HG12 ' B' ' 44' ' ' ILE . 79.3 mt -54.14 -43.15 70.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.917 0.389 . . . . 0.0 110.658 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -65.6 -32.87 74.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.21 -46.21 88.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.221 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -84.02 36.72 0.57 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' HA ' ' HZ3' ' B' ' 48' ' ' LYS . 76.0 m-20 -78.86 -146.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.655 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.58 131.85 44.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.721 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -175.97 133.36 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.919 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 25.7 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -87.15 143.46 27.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.697 HD13 HG11 ' B' ' 26' ' ' VAL . 49.3 pt -137.66 132.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 111.041 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.554 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -82.05 144.87 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.608 HG22 HD21 ' B' ' 15' ' ' LEU . 43.5 t -131.96 78.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.369 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.38 120.24 12.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.532 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 82.0 p -74.32 148.3 41.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.737 HD11 HD11 ' A' ' 39' ' ' LEU . 33.9 tp -46.96 -34.35 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.349 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.0 p -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.557 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 163.91 -42.9 0.32 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.205 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.87 125.97 20.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.779 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -98.2 132.53 43.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.491 HG21 HD23 ' B' ' 15' ' ' LEU . 68.5 mt -112.72 125.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.426 ' C ' HD22 ' B' ' 15' ' ' LEU . 90.1 m -94.14 129.48 40.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.295 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.608 HD21 HG22 ' B' ' 5' ' ' VAL . 3.9 mm? -121.75 139.98 52.9 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.473 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 88.7 tt0 -89.35 122.47 32.61 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.511 ' O ' HG12 ' B' ' 17' ' ' VAL . 2.2 p -167.5 129.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.369 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.606 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 80.7 mt-10 -76.46 143.94 40.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.627 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 44.4 t -58.93 -21.34 57.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.055 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -72.46 -28.72 63.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.939 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.606 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.2 m-20 -59.89 -121.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -167.4 149.04 5.71 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 0.0 111.576 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.9 mm -54.27 -42.44 57.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.433 ' H ' ' H ' ' B' ' 53' ' ' GLY . 33.7 t70 -55.2 -41.47 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.622 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 23.8 t-20 -61.0 -43.13 99.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.388 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.697 HG11 HD13 ' B' ' 3' ' ' ILE . 84.9 t -57.75 -52.14 61.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -58.64 -36.91 74.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.272 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 50.6 m -61.71 -44.27 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.629 ' HZ1' ' HB3' ' B' ' 29' ' ' LYS . 7.3 mtpm? -59.09 -44.39 91.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.727 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.15 -33.88 65.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.258 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.465 HE21 ' HD3' ' B' ' 38' ' ' PRO . 49.4 tt0 -61.78 -47.43 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.67 -43.03 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.624 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.0 -63.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.954 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.15 -38.0 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.07 8.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.982 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -117.36 135.64 23.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.181 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.67 140.4 37.08 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.484 2.123 . . . . 0.0 112.409 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' HE21 ' B' ' 31' ' ' GLN . 49.1 Cg_exo -55.83 -42.05 71.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.637 2.225 . . . . 0.0 112.607 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.36 -41.96 84.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.663 HE21 HD11 ' B' ' 71' ' ' LEU . 40.5 tt0 -60.32 -52.16 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -86.46 145.95 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 110.76 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.47 ' HD2' ' NE2' ' B' ' 49' ' ' GLN . 82.7 mtm180 -144.3 125.76 14.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 69' ' ' LEU . 6.6 mp -88.18 114.21 24.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.901 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 88.2 mt -101.14 142.97 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.572 ' N ' HG22 ' B' ' 44' ' ' ILE . 21.6 t80 -160.24 144.54 14.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.064 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.69 35.02 24.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.151 0.501 . . . . 0.0 110.439 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 29.88 71.38 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.547 -0.752 . . . . 0.0 113.505 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.534 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -172.74 137.35 0.77 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.962 0.41 . . . . 0.0 111.778 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.639 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.9 tt0 -58.09 126.45 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.297 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' B' ' 45' ' ' PHE . 73.4 mt -70.36 126.6 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.41 126.64 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.7 p30 -71.78 146.37 48.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.832 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.433 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 108.47 -34.16 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.23 -143.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.307 . . . . 0.0 111.075 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 54.5 p -151.36 145.17 25.1 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.627 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 97.0 mt -55.46 -36.29 66.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.609 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.34 -40.54 94.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.195 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.23 -56.44 21.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -68.81 -11.21 60.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.632 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 62.08 38.34 14.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.445 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.6 mt -66.73 125.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -67.17 159.19 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.584 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -67.36 136.09 54.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 62.05 41.72 10.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.638 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.8 m -76.9 143.82 39.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.554 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 68.5 m -83.53 86.17 7.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.369 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 8.9 mp -86.01 126.87 34.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.782 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.452 ' CG ' ' HE1' ' A' ' 19' ' ' MET . 10.2 m-70 -77.08 156.38 31.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.517 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 43' ' ' LEU . 44.9 tp -143.1 91.21 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.721 ' HA ' ' HB2' ' B' ' 8' ' ' LEU . 88.7 t -75.75 135.53 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.32 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.663 HD11 HE21 ' B' ' 40' ' ' GLN . 44.1 tp -101.18 126.16 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.899 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.512 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 79.5 ttt180 -75.29 133.46 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.643 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.73 133.14 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -66.3 136.81 56.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.61 -131.57 43.92 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.573 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.623 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.883 0.373 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.2 -47.27 0.07 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.512 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -174.22 103.99 0.11 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.003 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -74.02 -26.2 60.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.355 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 56.2 mt-10 -52.65 -38.97 61.33 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.09 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' SER . 25.8 m -59.4 -50.62 73.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.559 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 95.2 mttt -59.27 -39.43 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.358 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 16' ' ' LEU . 55.4 tp -61.96 -36.51 81.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.558 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' SER . 44.2 t -59.3 -46.67 87.92 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 HG23 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.71 -39.33 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.545 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 13' ' ' LEU . 97.6 mt -59.79 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB2' ' HE1' ' A' ' 17' ' ' MET . 59.1 mtm -60.13 -51.2 70.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.524 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.485 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.8 t70 -67.49 -40.78 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.519 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.703 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 56.0 ttm -60.18 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.273 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.674 ' HZ ' HG22 ' A' ' 43' ' ' ILE . 25.1 m-85 -105.01 92.09 5.01 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.957 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 19' ' ' MET . 87.2 Cg_endo -78.07 59.63 7.04 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.634 2.223 . . . . 0.0 112.224 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 23' ' ' ILE . . . -165.71 -48.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.091 0.472 . . . . 0.0 111.682 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 ' HB3' ' A' ' 20' ' ' PHE . 3.9 mp -74.12 135.23 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.801 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -61.78 147.46 46.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.507 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' NZ ' HD23 ' A' ' 13' ' ' LEU . 62.0 tttp -56.47 -39.14 72.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.088 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 30' ' ' VAL . 61.5 m -56.53 -47.59 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HE3' ' HE2' ' A' ' 31' ' ' HIS . 62.9 tttp -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.919 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 28' ' ' LEU . 96.8 mt -56.97 -39.55 74.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.509 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.5 tt0 -62.28 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.648 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 68.8 t -60.55 -47.88 90.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HE2' ' HE3' ' A' ' 27' ' ' LYS . 91.1 m-70 -60.25 -44.1 95.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 37' ' ' ASN . 39.6 tp -60.77 -41.25 95.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -64.7 -45.66 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.419 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 54.2 mt-10 -58.61 -52.12 67.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.067 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' OD1' HD22 ' A' ' 41' ' ' LEU . 72.9 m-80 -83.71 32.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 64.75 -72.82 0.06 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 32' ' ' LEU . 23.5 p30 -177.92 31.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -86.83 127.81 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD12 ' HB3' ' B' ' 8' ' ' LEU . 76.3 mt -79.71 -52.91 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.751 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.12 -40.86 70.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.646 0.26 . . . . 0.0 111.158 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD22 ' OD1' ' A' ' 35' ' ' ASN . 40.8 tp -68.84 -65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.076 0.465 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.469 ' O ' HD22 ' A' ' 46' ' ' LEU . 97.3 m -51.27 -59.73 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.035 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.674 HG22 ' HZ ' ' A' ' 20' ' ' PHE . 73.4 mt -56.21 -37.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.57 -49.91 44.33 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.634 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 42' ' ' THR . 4.4 mm? -57.76 -41.46 81.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.415 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.652 HD22 HD11 ' B' ' 44' ' ' ILE . 62.0 mt -55.45 -50.01 70.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 0.0 110.111 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.587 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 8.5 mtpm? -82.98 42.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.566 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.75 -43.91 73.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -70.46 -144.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.833 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 8.4 t70 55.37 -122.19 1.83 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.618 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 34.2 t70 63.27 120.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.026 0.441 . . . . 0.0 111.168 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -94.31 137.29 33.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.909 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.862 0.363 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.698 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 65.4 mt-30 -146.37 -178.41 6.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.494 HG21 ' O ' ' B' ' 2' ' ' GLN . 27.6 pt -147.83 130.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -88.2 118.21 27.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.415 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.77 96.04 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.252 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.5 tttt -90.97 130.05 36.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.705 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.523 ' HG1' ' H ' ' B' ' 11' ' ' LYS . 81.4 p -93.55 147.95 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.273 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.814 HD12 HG11 ' B' ' 70' ' ' VAL . 52.5 mt -50.57 -38.58 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -60.67 -57.82 11.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.401 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.01 53.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.584 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.523 ' H ' ' HG1' ' B' ' 7' ' ' THR . 86.8 tttt -138.74 126.36 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.032 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -103.41 138.19 40.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.274 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -135.76 93.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.523 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.579 HG22 ' N ' ' B' ' 15' ' ' LEU . 91.4 m -73.07 143.74 47.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.425 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.579 ' N ' HG22 ' B' ' 14' ' ' THR . 9.4 mt -145.68 136.24 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.698 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 43.8 tt0 -75.5 131.59 40.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.644 HG13 ' HZ1' ' B' ' 29' ' ' LYS . 26.2 m -151.58 135.97 9.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.375 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' B' ' 20' ' ' SER . 43.5 tp10 -70.72 149.17 47.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.98 -40.83 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.457 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 53.1 m -82.18 49.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 8.6 t70 -120.22 124.22 45.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.125 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.9 t -71.12 143.46 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.85 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.576 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.9 mm -51.79 -41.64 30.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.538 ' HB2' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -54.65 -45.86 73.9 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -43.21 81.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.74 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.1 t -59.21 -38.76 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.088 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.577 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.091 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -59.74 -46.35 89.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.644 ' HZ1' HG13 ' B' ' 17' ' ' VAL . 55.0 mtpt -59.55 -43.61 93.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 68.3 mt -58.15 -41.09 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tp60 -58.25 -47.05 84.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.758 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -62.91 -35.95 81.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -68.84 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.165 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -81.07 -38.49 27.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.04 37.68 11.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.007 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -101.36 133.3 20.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.428 0.156 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.9 Cg_endo -52.17 141.77 47.53 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.704 2.27 . . . . 0.0 112.159 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.29 -42.73 62.98 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.841 2.361 . . . . 0.0 112.837 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.97 -44.05 94.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.981 0.419 . . . . 0.0 110.775 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -67.42 -58.67 4.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.436 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.1 pt20 -69.32 139.44 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 111.796 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.65 110.85 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.273 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.0 mm? -83.95 110.43 18.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.45 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 47' ' ' LEU . 77.2 mt -98.24 142.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 47' ' ' GLY . 34.6 t80 -163.2 146.18 10.43 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.52 -32.97 0.25 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.721 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 164.1 -17.19 0.11 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.505 ' HA ' HD21 ' A' ' 47' ' ' LEU . 22.9 pttm -158.95 165.41 34.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.394 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -53.31 134.37 39.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 45' ' ' PHE . 71.2 mt -70.27 135.74 49.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.58 132.26 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.66 142.37 57.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.538 ' H ' ' HB2' ' B' ' 24' ' ' ASP . . . 93.83 -31.59 6.44 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.942 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.576 ' O ' HG12 ' B' ' 23' ' ' ILE . 12.2 mmp_? -64.7 134.7 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.376 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -75.88 151.74 37.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 83.0 mt -53.37 -40.28 64.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.8 p -55.31 -32.98 62.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.265 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.86 -53.89 51.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.344 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.554 ' HB2' HG13 ' B' ' 61' ' ' ILE . 21.8 m-85 -83.45 16.46 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 49.3 34.25 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' B' ' 59' ' ' TYR . 68.2 mt -71.77 123.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.439 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.4 pm0 -84.02 -155.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -96.94 148.41 22.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.03 42.73 15.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -73.75 -152.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.1 m -162.63 131.67 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.1 133.8 55.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.324 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.703 ' HD1' ' HB2' ' A' ' 19' ' ' MET . 33.3 m170 -93.85 109.76 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.495 HD11 HD13 ' B' ' 43' ' ' LEU . 64.2 tp -76.23 137.34 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.199 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.814 HG11 HD12 ' B' ' 8' ' ' LEU . 57.4 t -140.62 129.87 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.934 0.397 . . . . 0.0 111.286 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.424 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.9 mp -85.91 141.65 29.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.857 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.02 -72.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.481 ' N ' HD12 ' B' ' 73' ' ' LEU . 5.6 mp -81.95 137.94 35.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.593 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLY . 51.5 ttp85 57.85 -112.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' ARG . . . 67.08 44.59 87.37 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.422 179.879 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.462 0.172 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 65.21 139.53 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -167.96 41.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.769 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.597 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -81.58 -22.98 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.0 pt-20 -49.86 -34.66 20.67 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.754 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.489 ' O ' HD12 ' A' ' 15' ' ' ILE . 88.5 p -58.88 -48.98 79.5 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.597 ' NZ ' ' HA ' ' A' ' 9' ' ' HIS . 38.7 mtmm -59.98 -38.29 82.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.304 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.89 -38.88 87.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.702 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -59.22 -47.84 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.647 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.646 HG23 HD21 ' B' ' 8' ' ' LEU . 1.7 mp -57.66 -40.23 74.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.114 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.591 HD21 ' HE2' ' A' ' 20' ' ' PHE . 77.3 mt -60.24 -42.03 94.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.821 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 81.7 mtp -61.9 -50.94 70.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.558 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -67.55 -44.33 78.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.611 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 56.8 ttm -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.206 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.619 ' HZ ' HG22 ' A' ' 43' ' ' ILE . 26.8 m-85 -102.03 98.13 9.57 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.44 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 19' ' ' MET . 90.8 Cg_endo -80.16 50.77 3.65 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.613 2.208 . . . . 0.0 112.955 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.98 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 27' ' ' LYS . 63.3 mt -59.92 134.05 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.287 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 t -65.94 144.3 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 60.0 mtpt -55.1 -44.88 75.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.0 t -56.7 -44.8 81.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.098 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD2' HG23 ' A' ' 23' ' ' ILE . 25.1 ttmm -61.25 -48.99 78.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.073 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD21 HG22 ' A' ' 23' ' ' ILE . 97.3 mt -56.75 -41.29 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.933 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -63.06 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.94 -51.53 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -60.93 -41.31 95.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 37' ' ' ASN . 53.4 tp -60.38 -43.67 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.17 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.1 mt -63.41 -47.86 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.401 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 -44.35 91.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m120 -77.29 34.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 45.87 38.03 4.07 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.599 ' HA ' HD12 ' A' ' 32' ' ' LEU . 76.3 m-20 57.92 42.77 22.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.037 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.79 128.38 49.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 0.0 111.025 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.512 HD12 HD13 ' B' ' 8' ' ' LEU . 87.0 mt -79.35 -48.97 13.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.624 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.8 -39.03 90.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.902 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.88 -55.76 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.679 0.276 . . . . 0.0 111.041 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.56 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 63.2 m -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.619 HG22 ' HZ ' ' A' ' 20' ' ' PHE . 68.0 mt -60.79 -42.55 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.33 -45.43 52.72 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.972 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.13 -40.78 82.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 109.967 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 42' ' ' THR . 94.5 mt -60.91 -29.27 69.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.64 HD12 HD11 ' B' ' 44' ' ' ILE . 76.5 mt -63.52 -46.84 84.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.271 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -77.18 30.13 0.14 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -87.36 -42.95 12.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -79.81 46.43 0.78 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.48 139.47 49.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -77.62 43.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.359 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -62.95 135.32 57.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.929 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HG3' ' OG ' ' B' ' 19' ' ' SER . 1.5 tmt? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.426 ' O ' HG22 ' B' ' 3' ' ' ILE . 23.5 mt-30 -125.55 166.52 16.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.561 HG12 ' HB ' ' B' ' 17' ' ' VAL . 12.2 pt -142.97 132.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.015 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -81.88 150.58 27.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.708 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.651 HG22 HD11 ' B' ' 15' ' ' LEU . 45.7 t -137.36 78.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.661 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 86.2 tttt -80.14 116.81 20.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.644 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 t -80.12 141.95 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 15' ' ' ILE . 36.2 mt -49.43 -34.88 17.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.757 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -51.44 -55.0 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.549 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.55 54.36 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.968 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' B' ' 11' ' ' LYS . 7.5 tmtm? -162.13 118.54 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.852 0.358 . . . . 0.0 110.799 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.661 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 54.7 m -85.87 134.24 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 64.7 mt -124.38 109.9 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 111.45 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.597 HG23 ' N ' ' B' ' 15' ' ' LEU . 86.4 m -83.02 145.93 29.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.643 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.664 HD12 ' HZ2' ' B' ' 33' ' ' LYS . 14.0 mt -146.28 143.85 29.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.609 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' HG22 ' B' ' 17' ' ' VAL . 18.7 tp10 -74.55 125.16 28.02 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.561 ' HB ' HG12 ' B' ' 3' ' ' ILE . 25.4 t -150.46 132.67 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 0.0 111.842 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.23 141.8 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.233 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' B' ' 1' ' ' MET . 36.1 m -59.74 -30.38 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 m -102.24 31.14 4.12 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.749 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.471 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 35.4 t70 -79.33 -128.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.457 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 6.8 t -175.03 140.46 0.53 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.66 0.267 . . . . 0.0 110.729 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.618 HD11 HD12 ' B' ' 50' ' ' LEU . 32.4 mm -51.99 -37.91 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 8.1 t70 -58.03 -47.1 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.471 ' HB3' ' OD2' ' B' ' 21' ' ' ASP . 49.4 t30 -59.88 -42.44 93.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.741 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.534 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.46 -47.55 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.12 -41.15 96.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.428 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -58.41 -45.07 89.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.563 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.54 -40.43 96.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.346 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.5 mt -60.15 -42.48 90.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.438 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.7 tp60 -62.02 -51.57 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.42 -38.92 85.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.403 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.708 ' HE3' ' HG3' ' B' ' 34' ' ' GLU . 36.3 ttpt -73.68 -76.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.27 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.708 ' HG3' ' HE3' ' B' ' 33' ' ' LYS . 49.9 mt-10 -69.03 -35.84 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.43 37.32 31.66 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.177 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.468 HD12 ' OE1' ' B' ' 34' ' ' GLU . 63.8 mt -91.97 133.81 29.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.129 . . . . 0.0 110.771 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 7.3 Cg_endo -50.86 133.46 39.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' B' ' 40' ' ' GLN . 46.6 Cg_exo -56.13 -41.15 79.78 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.314 2.01 . . . . 0.0 111.691 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.92 33.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.694 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 36.6 tt0 -161.29 31.6 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.009 0.433 . . . . 0.0 110.724 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -166.26 139.81 4.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.728 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.555 ' HB2' HE21 ' B' ' 49' ' ' GLN . 3.9 ptp85 -154.74 134.33 12.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.334 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 98.6 mt -87.01 125.56 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.667 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.64 HD11 HD12 ' A' ' 47' ' ' LEU . 88.5 mt -117.2 141.33 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.484 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.499 ' N ' HG21 ' B' ' 44' ' ' ILE . 21.5 t80 -158.24 150.46 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.652 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.95 31.42 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.66 32.38 74.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.616 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' B' ' 48' ' ' LYS . 6.4 ttpm? -172.71 142.48 1.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.231 0.515 . . . . 0.0 111.816 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.555 HE21 ' HB2' ' B' ' 42' ' ' ARG . 49.3 tt0 -56.37 131.57 48.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.757 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.618 HD12 HD11 ' B' ' 23' ' ' ILE . 85.1 mt -82.61 129.73 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.46 133.06 49.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.522 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.24 -41.56 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 43.7 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.83 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.55 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.9 mmt-85 -146.98 132.9 19.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.897 0.379 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -74.18 155.29 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' B' ' 61' ' ' ILE . 93.3 mt -53.06 -41.11 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.938 0.399 . . . . 0.0 110.83 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -58.6 -31.38 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.02 -56.34 14.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.459 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.432 ' HB2' HG13 ' B' ' 61' ' ' ILE . 54.9 m-85 -82.64 26.04 0.6 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 49.37 33.08 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' B' ' 56' ' ' LEU . 63.9 mt -66.81 126.24 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.992 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -74.97 -138.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.782 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -120.71 142.38 49.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 61.32 40.41 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -69.53 139.11 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 75.4 m -88.41 87.25 7.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.535 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.523 ' N ' HD13 ' B' ' 67' ' ' LEU . 6.7 mp -85.91 134.06 33.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.128 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.557 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 37.3 m170 -89.13 120.08 30.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' B' ' 5' ' ' VAL . 64.7 tp -83.56 81.07 8.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.442 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.564 ' CG2' HD13 ' B' ' 44' ' ' ILE . 83.1 t -71.91 122.42 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.891 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.72 137.39 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.517 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.694 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 51.7 ttt-85 -68.12 -105.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.492 HD12 ' N ' ' B' ' 74' ' ' ARG . 2.5 tm? -62.26 132.87 54.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.787 0.327 . . . . 0.0 110.124 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.563 ' HA ' HH11 ' B' ' 74' ' ' ARG . 3.7 mmm180 -68.34 -135.1 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.53 -135.08 35.9 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.537 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.508 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.821 0.344 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.11 -123.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 58.11 36.07 25.62 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.632 0.253 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -69.96 -22.86 63.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.482 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 46.7 mt-10 -50.22 -37.46 35.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -60.5 -45.21 94.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 25.7 mmtp -59.42 -39.12 82.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.861 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.5 tp -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.898 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 m -58.66 -47.15 85.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.542 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.855 HG21 ' HG ' ' B' ' 8' ' ' LEU . 1.7 mp -57.75 -40.29 74.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.005 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 31' ' ' HIS . 93.5 mt -60.64 -42.11 96.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.1 mtt -63.24 -53.94 45.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.473 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 8.4 t70 -65.59 -44.43 86.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.398 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.622 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 57.9 ttm -60.43 -45.5 93.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.147 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.593 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 33.3 m-85 -106.59 89.93 4.57 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.23 51.32 3.65 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.701 2.267 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.81 -39.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.787 HG22 ' HD2' ' A' ' 27' ' ' LYS . 66.4 mt -63.32 133.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -65.3 145.95 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.84 -42.38 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' HG21 ' A' ' 30' ' ' VAL . 52.8 m -59.13 -48.52 81.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.141 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.787 ' HD2' HG22 ' A' ' 23' ' ' ILE . 4.9 ttmp? -57.84 -43.09 85.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.098 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.77 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -60.1 -46.55 89.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.62 -40.24 96.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 87.9 t -63.62 -56.87 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.77 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 6.3 p80 -60.86 -42.05 97.08 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.424 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 53.4 tp -57.84 -48.71 78.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.351 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.52 -47.21 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 57.0 mt-10 -53.94 -45.52 71.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 1.7 m120 -64.73 -76.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.14 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER 171.08 36.04 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.117 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.17 38.74 30.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.81 138.24 47.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.701 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD12 HD21 ' B' ' 8' ' ' LEU . 86.6 mt -85.46 -56.52 3.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.77 -42.54 71.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD23 HH21 ' B' ' 74' ' ' ARG . 2.5 tm? -69.71 -60.51 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.317 . . . . 0.0 111.516 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.57 HG22 ' HD1' ' A' ' 31' ' ' HIS . 21.5 m -57.46 -55.12 38.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.261 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.593 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 80.8 mt -57.77 -41.85 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -46.88 60.01 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.859 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.56 -38.82 84.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.275 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.9 mt -60.28 -38.23 82.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.05 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.715 HD13 HH21 ' B' ' 42' ' ' ARG . 48.2 mt -48.66 -47.42 40.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.882 0.373 . . . . 0.0 111.138 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -69.26 -39.37 78.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -53.89 -50.71 65.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.236 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.476 HD21 ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -66.9 125.64 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' HD21 ' A' ' 50' ' ' ASN . 64.3 t0 -177.19 128.6 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.586 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.22 41.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.861 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 54' ' ' SER . 39.6 ttmt 57.17 -120.66 1.38 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 68.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.803 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.605 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.9 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.044 0.45 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.453 ' O ' HG23 ' B' ' 3' ' ' ILE . 23.6 mt-30 -69.41 157.99 35.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.238 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.68 HD13 HG21 ' B' ' 17' ' ' VAL . 29.4 pt -148.1 130.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.556 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -77.1 142.18 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.478 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.425 HG13 HD12 ' B' ' 30' ' ' ILE . 49.6 t -129.61 80.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.988 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 63.6 tttp -77.08 135.31 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.522 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.515 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 82.5 p -101.22 137.21 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.855 ' HG ' HG21 ' A' ' 15' ' ' ILE . 10.3 mp -52.11 -34.56 44.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.695 0.283 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -58.74 -53.71 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.44 57.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.815 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.515 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 84.1 tttt -160.59 122.93 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.1 m -103.03 138.71 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.784 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.855 HG23 HD22 ' B' ' 15' ' ' LEU . 57.1 mt -131.76 126.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 111.206 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.428 ' C ' HD21 ' B' ' 15' ' ' LEU . 88.5 m -93.91 133.96 36.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.474 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.855 HD22 HG23 ' B' ' 13' ' ' ILE . 3.3 mm? -134.36 142.73 47.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.443 ' O ' HG13 ' B' ' 17' ' ' VAL . 38.9 tt0 -94.57 129.62 41.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.541 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.68 HG21 HD13 ' B' ' 3' ' ' ILE . 22.2 m -149.43 136.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.976 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.453 ' HG2' ' H ' ' B' ' 20' ' ' SER . 39.6 tt0 -66.43 150.84 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.9 p -54.08 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.793 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.453 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 38.6 t -90.73 33.07 0.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.46 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' B' ' 22' ' ' THR . 27.9 t70 -83.67 -141.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.472 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 8.0 t -166.08 144.36 5.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.929 0.395 . . . . 0.0 111.038 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.507 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.6 mm -50.97 -40.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.158 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.06 -43.86 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.311 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.08 -44.95 91.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.911 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.414 HG23 HG12 ' B' ' 17' ' ' VAL . 45.4 t -59.39 -45.1 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.583 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.22 88.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -59.54 -46.15 89.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.097 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -58.7 -47.8 83.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.433 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.425 HD12 HG13 ' B' ' 5' ' ' VAL . 80.5 mt -62.1 -36.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.4 tt0 -60.3 -44.19 95.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.14 -44.24 72.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.546 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.591 ' NZ ' ' HB3' ' B' ' 33' ' ' LYS . 7.1 mtpm? -65.89 -62.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.32 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.086 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 79.51 37.98 22.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.849 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -110.11 134.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.03 144.54 56.95 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.561 2.174 . . . . 0.0 111.976 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.2 Cg_endo -53.36 -40.51 77.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.753 2.302 . . . . 0.0 112.41 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.402 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 35.2 t70 -67.02 -40.98 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.773 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -79.09 35.44 0.26 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.257 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.555 ' HB2' HD13 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -166.66 146.37 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.935 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.778 ' HD2' ' HA ' ' B' ' 73' ' ' LEU . 40.1 mtp180 -143.81 123.47 13.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 69.2 mt -90.85 83.21 5.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.655 HD12 HG23 ' B' ' 70' ' ' VAL . 79.5 mt -81.67 137.54 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.723 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.53 ' C ' ' H ' ' B' ' 47' ' ' GLY . 27.5 t80 -161.31 144.61 12.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.878 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.11 -31.54 0.19 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.187 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 174.66 -24.39 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.052 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.565 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -165.37 167.79 17.4 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.931 0.396 . . . . 0.0 111.684 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 2.9 pt20 -53.08 129.93 32.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.202 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.643 HD11 HD22 ' B' ' 67' ' ' LEU . 50.4 mt -76.24 139.53 41.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.629 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.54 134.56 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -76.37 46.35 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.678 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.34 47.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.408 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.507 ' O ' HG12 ' B' ' 23' ' ' ILE . 27.1 mmm180 -145.63 133.28 20.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -63.9 148.75 48.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.663 HD13 HG22 ' B' ' 17' ' ' VAL . 90.1 mt -51.6 -37.45 50.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -55.22 -36.22 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.867 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.41 -56.57 15.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.561 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.452 ' CE2' HD23 ' B' ' 50' ' ' LEU . 50.7 m-85 -82.46 11.43 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.619 0.247 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 50.3 38.52 17.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.545 HD11 HD22 ' B' ' 56' ' ' LEU . 71.7 mt -63.64 128.9 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.422 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.623 ' H ' ' NE2' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -80.75 147.75 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.744 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -63.12 138.21 58.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 65.03 39.25 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.897 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -80.3 -148.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.66 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 130.98 4.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.643 HD22 HD11 ' B' ' 50' ' ' LEU . 6.6 mp -123.41 144.43 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.624 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.622 ' ND1' ' HB2' ' A' ' 19' ' ' MET . 36.3 m170 -97.02 128.7 44.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.174 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' B' ' 41' ' ' GLN . 63.8 tp -103.26 96.62 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.655 HG23 HD12 ' B' ' 44' ' ' ILE . 45.8 t -74.29 134.21 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.601 ' HG ' ' HG3' ' B' ' 72' ' ' ARG . 62.9 tp -72.13 124.68 25.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.635 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.773 ' HA ' ' HA ' ' B' ' 40' ' ' GLN . 95.9 mtt180 57.19 166.69 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.487 0.661 . . . . 0.0 112.061 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.778 ' HA ' ' HD2' ' B' ' 42' ' ' ARG . 15.0 tp -74.83 -147.91 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.366 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.713 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 45.0 mmm-85 -59.41 136.37 57.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.656 0.265 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.92 -138.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.559 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.821 0.343 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -78.71 -41.25 31.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 66.65 38.37 4.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -71.1 -23.47 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 109.942 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 57.2 mm-40 -50.1 -35.61 26.26 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -59.73 -48.39 81.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -58.14 -40.28 80.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 178.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 17' ' ' MET . 45.6 tp -62.89 -40.15 96.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.798 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -59.31 -46.55 88.28 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.728 HG21 HD23 ' B' ' 8' ' ' LEU . 1.8 mp -57.43 -41.99 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD11 ' HE1' ' A' ' 31' ' ' HIS . 87.5 mt -59.58 -41.42 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 60.2 mtt -61.88 -55.78 26.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.429 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.567 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 63.3 t0 -65.22 -42.86 93.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.342 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.715 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 55.2 ttm -59.47 -42.07 91.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 49.6 m-85 -113.85 76.97 3.39 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 73.9 Cg_endo -74.33 51.64 2.58 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.745 2.297 . . . . 0.0 112.562 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.2 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.141 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 27' ' ' LYS . 60.0 mt -64.69 135.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -60.39 139.66 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -56.06 -34.27 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.8 p -53.15 -50.2 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HD3' HG22 ' A' ' 23' ' ' ILE . 63.5 tttp -60.48 -44.44 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.266 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.3 mt -60.34 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.04 -40.91 91.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.226 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.4 t -61.83 -55.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.106 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.718 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.9 p80 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.346 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 37' ' ' ASN . 45.0 tp -58.24 -47.63 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.38 -48.94 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.14 -47.44 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.87 40.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 43.75 47.06 6.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.644 ' HA ' HD12 ' A' ' 32' ' ' LEU . 12.0 p-10 41.56 39.8 1.2 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.572 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.3 140.82 32.25 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.606 0.241 . . . . 0.0 110.622 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.6 HD12 HD12 ' B' ' 8' ' ' LEU . 87.8 mt -98.0 -55.19 2.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.33 -47.24 85.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.42 -56.21 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.577 HG23 ' ND1' ' A' ' 31' ' ' HIS . 56.3 m -56.77 -55.42 34.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 77.4 mt -64.0 -41.41 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.16 -48.96 31.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.7 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.46 -40.47 85.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.503 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 20' ' ' PHE . 13.6 tp -57.38 -37.88 73.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.807 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD22 ' HA ' ' B' ' 48' ' ' LYS . 35.9 mt -61.91 -46.99 86.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.039 0.447 . . . . 0.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -81.35 41.71 0.63 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.24 -55.96 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.46 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.75 -51.29 7.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.579 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 65.94 132.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.975 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -58.88 -44.61 91.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.086 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 2.7 mppt? -63.04 136.81 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.921 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.321 0.582 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 25.8 mt-30 -69.86 167.52 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.69 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.613 HD13 HG22 ' B' ' 17' ' ' VAL . 33.5 pt -149.27 135.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 4.3 m-85 -82.73 144.87 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.639 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.83 78.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.88 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 86.2 tttt -73.65 125.65 28.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.887 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -84.23 145.9 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.903 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.728 HD23 HG21 ' A' ' 15' ' ' ILE . 37.9 mt -50.09 -36.98 31.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.751 0.31 . . . . 0.0 110.636 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -62.38 -54.36 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.92 -40.82 0.35 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.125 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -55.18 130.98 44.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.581 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 90.3 m -113.65 133.93 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.684 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -116.51 128.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 111.587 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -99.84 136.22 40.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -144.77 138.15 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.458 . . . . 0.0 111.136 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 89.0 tt0 -86.12 134.05 33.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.613 HG22 HD13 ' B' ' 3' ' ' ILE . 28.9 m -150.43 134.26 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.581 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 88.3 tt0 -67.44 145.66 54.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.5 m -77.29 42.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.192 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -160.44 40.45 0.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.4 m-20 -121.56 -121.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.705 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.492 ' HG1' ' HA2' ' B' ' 53' ' ' GLY . 8.0 t -167.46 145.78 4.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 111.183 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.402 HD13 HG23 ' B' ' 23' ' ' ILE . 45.8 mm -51.45 -37.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -55.78 -42.12 75.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.26 -45.16 84.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.301 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.552 HG21 HG12 ' B' ' 17' ' ' VAL . 59.8 t -59.83 -46.03 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.461 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' B' ' 31' ' ' GLN . 97.1 mttt -57.69 -44.45 85.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.398 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -58.14 -44.05 87.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.508 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 54.5 mtpt -59.56 -41.21 89.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.4 mt -60.65 -43.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 27' ' ' LYS . 15.7 mt-30 -58.05 -54.51 46.12 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.633 0.73 . . . . 0.0 110.531 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.01 -38.13 78.51 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -73.09 -76.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.029 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.18 -42.44 96.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.784 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.13 57.74 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.343 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.57 HG21 HE21 ' B' ' 40' ' ' GLN . 76.7 mt -143.39 130.21 10.54 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.539 0.209 . . . . 0.0 111.143 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.673 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 18.4 Cg_endo -59.12 143.13 99.9 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.547 2.165 . . . . 0.0 112.213 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.49 -32.38 93.59 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.97 2.446 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.44 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 8.4 t70 -55.77 -47.44 77.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.845 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.673 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 19.6 pt20 -89.52 38.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.586 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 3.1 pt20 -167.96 137.2 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 111.0 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' B' ' 41' ' ' GLN . 23.5 mmm180 -134.16 124.78 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.291 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 6.8 mp -84.55 121.36 27.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.145 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.573 HD13 HG21 ' A' ' 43' ' ' ILE . 72.8 mt -108.4 142.64 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.223 0.535 . . . . 0.0 111.911 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.499 ' HB2' ' HG ' ' B' ' 67' ' ' LEU . 29.5 t80 -152.9 145.77 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.191 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.562 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.98 -65.27 0.3 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.594 0.559 . . . . 0.0 110.884 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.26 17.23 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.707 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.797 ' HA ' HD22 ' A' ' 47' ' ' LEU . 24.2 pttm -173.72 156.71 2.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.901 0.381 . . . . 0.0 111.23 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 47' ' ' LEU . 3.2 pt20 -58.48 126.41 27.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.48 137.02 49.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.041 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.93 139.23 56.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 2.3 p30 -77.88 46.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.492 ' HA2' ' HG1' ' B' ' 22' ' ' THR . . . 179.96 50.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -145.75 135.52 23.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.908 0.385 . . . . 0.0 111.333 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.454 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.2 p -65.34 153.65 40.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.383 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.547 HD23 HD11 ' B' ' 61' ' ' ILE . 94.0 mt -55.61 -41.72 73.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -59.28 -29.19 67.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.729 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -52.26 -57.31 10.1 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.671 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.88 22.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.59 0.233 . . . . 0.0 111.068 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.416 ' N ' HD21 ' B' ' 60' ' ' ASN . 2.6 m120 49.37 38.11 13.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.0 110.34 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.547 HD11 HD23 ' B' ' 56' ' ' LEU . 66.6 mt -62.3 127.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.848 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' B' ' 65' ' ' SER . 3.2 mm100 -84.97 156.55 21.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.325 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 14.8 ptmm? -53.17 146.29 11.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 24.7 pt-20 45.36 40.66 5.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.799 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.9 t -71.17 138.5 49.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.2 m -86.18 130.76 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.077 0.465 . . . . 0.0 112.065 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' B' ' 45' ' ' PHE . 8.2 mp -123.41 135.5 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.941 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.715 ' HD1' ' HB2' ' A' ' 19' ' ' MET . 35.8 m170 -91.79 116.17 28.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.007 0.432 . . . . 0.0 111.98 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -84.97 128.78 34.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.485 HG21 HD12 ' B' ' 44' ' ' ILE . 49.7 t -114.91 118.76 59.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.471 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.532 HD13 ' O ' ' B' ' 40' ' ' GLN . 54.0 tp -89.46 127.83 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.583 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' B' ' 72' ' ' ARG . 45.8 mtp85 -80.16 128.38 33.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.39 142.26 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.789 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -55.39 -47.5 75.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.79 -135.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.545 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.521 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.7 146.94 54.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -155.32 34.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.247 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.52 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.42 -23.59 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.054 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -50.66 -34.75 27.65 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.319 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 15' ' ' ILE . 48.2 t -59.46 -49.28 78.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 67.8 mttm -63.74 -37.53 87.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.451 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -41.38 95.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.255 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -61.42 -42.23 98.41 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.7 mm -55.5 -41.44 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 28' ' ' LEU . 81.7 mt -62.51 -42.38 99.47 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.815 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -54.82 -52.3 63.12 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.005 0.431 . . . . 0.0 110.025 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' HE2' ' B' ' 68' ' ' HIS . 1.3 m-20 -71.33 -29.32 64.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.603 ' HE2' ' HB3' ' B' ' 68' ' ' HIS . 57.6 tpp -63.8 -39.01 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.664 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -130.78 111.97 16.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.337 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.9 -41.86 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.311 2.008 . . . . 0.0 112.374 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.78 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.0 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 ' HD3' ' A' ' 27' ' ' LYS . 59.3 mt -64.52 132.03 30.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.983 0.421 . . . . 0.0 111.615 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.9 p -71.52 146.84 48.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.73 -40.48 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.6 p -58.65 -47.41 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HD3' HG21 ' A' ' 23' ' ' ILE . 61.9 tttm -59.01 -48.76 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.581 ' HG ' HG22 ' A' ' 23' ' ' ILE . 85.7 mt -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -62.65 -41.28 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.289 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 61.8 t -60.16 -49.67 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' HE2' ' NZ ' ' A' ' 27' ' ' LYS . 93.4 m-70 -59.61 -45.16 92.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.242 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' A' ' 37' ' ' ASN . 39.5 tp -58.69 -39.8 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.5 -40.56 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.972 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 50.6 mt-10 -51.42 -63.23 1.2 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 75.5 m-80 -63.05 -63.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 110.467 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 50.8 t30 172.47 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.026 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.727 ' HA ' HD11 ' A' ' 32' ' ' LEU . 20.9 p30 173.43 33.01 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.558 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.92 140.12 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 12' ' ' LYS . 74.8 mt -91.26 -50.58 5.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.16 -40.39 89.73 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.442 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.42 -58.01 4.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.454 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.403 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 87.4 m -56.05 -53.3 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 66.4 mt -62.14 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.41 -42.52 57.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.216 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 -46.86 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.901 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mt -61.17 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.109 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.653 HD21 ' HA ' ' B' ' 48' ' ' LYS . 86.0 mt -55.02 -41.24 71.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 87.2 tttt -82.08 39.54 0.58 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 86.7 tt0 -71.74 -50.66 28.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -77.34 67.25 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.07 -44.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.926 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.18 -42.11 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.9 ttmp? -59.83 140.92 56.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.025 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.0 mt-30 -77.37 147.07 36.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.528 HD13 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -137.3 138.01 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -79.51 145.76 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.641 HG21 HD23 ' B' ' 15' ' ' LEU . 60.2 t -131.86 97.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 28.4 mtpp -78.23 139.5 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.565 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 74.6 p -93.54 145.9 24.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.553 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' B' ' 70' ' ' VAL . 45.1 tp -50.48 -35.88 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -70.53 -61.98 1.56 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.89 65.78 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.148 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -159.52 125.36 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 111.233 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -87.89 142.18 28.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.648 HG23 HD22 ' B' ' 15' ' ' LEU . 59.0 mt -132.05 118.6 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.38 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.441 ' C ' HD21 ' B' ' 15' ' ' LEU . 55.4 m -84.12 132.09 34.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.535 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.648 HD22 HG23 ' B' ' 13' ' ' ILE . 3.8 mm? -131.04 153.15 49.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.605 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.457 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 5.6 tp10 -107.27 124.28 49.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.528 HG22 HD13 ' B' ' 3' ' ' ILE . 31.2 m -150.56 133.4 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.04 0.448 . . . . 0.0 111.604 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.556 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 42.2 tp10 -67.87 150.82 48.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.569 ' HA ' HD11 ' B' ' 56' ' ' LEU . 37.0 t -77.15 41.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -163.53 32.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.963 0.411 . . . . 0.0 110.946 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.556 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.2 m-20 -98.2 -122.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.532 HG22 ' HB2' ' B' ' 25' ' ' ASN . 6.1 t -169.09 147.46 3.85 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.576 0.227 . . . . 0.0 110.94 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 54' ' ' ARG . 44.8 mm -51.18 -43.88 28.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 8.0 t70 -55.16 -39.91 70.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.275 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.532 ' HB2' HG22 ' B' ' 22' ' ' THR . 25.5 t-20 -56.75 -44.67 81.96 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.955 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.39 -39.26 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.641 ' HD3' HD13 ' B' ' 43' ' ' LEU . 48.7 mmtm -57.95 -47.1 83.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.792 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.566 ' HA ' ' NE2' ' B' ' 31' ' ' GLN . 50.1 m -63.18 -43.29 98.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.754 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.2 mtpm? -62.36 -44.58 96.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.375 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.27 -50.48 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.627 ' HG3' ' H ' ' B' ' 32' ' ' ASP . 20.3 pt20 -61.24 -54.97 37.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.909 0.385 . . . . 0.0 111.631 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.627 ' H ' ' HG3' ' B' ' 31' ' ' GLN . 64.0 t0 -54.85 -40.57 69.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.83 -69.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 112.027 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.67 -54.53 13.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.841 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.32 61.94 0.34 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.374 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.9 132.96 18.52 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-N 116.789 0.294 . . . . 0.0 111.317 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 54.2 Cg_exo -52.03 137.31 53.45 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.439 2.093 . . . . 0.0 112.026 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.83 -44.29 31.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.701 2.267 . . . . 0.0 112.822 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.482 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 35.4 p-10 -64.4 -40.05 95.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.794 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 26.4 mt-30 -72.98 -46.86 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 3.2 pt20 -63.49 134.71 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.623 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.491 ' HE ' ' HB3' ' B' ' 49' ' ' GLN . 79.2 ttt180 -134.42 114.22 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.506 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.664 HD11 ' N ' ' B' ' 43' ' ' LEU . 8.7 mp -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.381 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.606 HG12 HD22 ' A' ' 47' ' ' LEU . 91.2 mt -100.73 142.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.841 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' N ' HG21 ' B' ' 44' ' ' ILE . 36.0 t80 -164.36 141.01 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.785 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.2 33.59 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.27 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.11 72.52 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.838 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.653 ' HA ' HD21 ' A' ' 47' ' ' LEU . 38.1 ttpt -173.14 144.56 1.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.304 0.552 . . . . 0.0 111.912 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -58.4 137.13 57.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.003 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.516 HD13 HD12 ' B' ' 23' ' ' ILE . 83.3 mt -75.78 130.84 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.785 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.468 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 51.6 mt-10 -66.86 136.09 54.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -66.17 138.9 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.655 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.493 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 77.55 41.32 20.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.126 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.573 ' O ' HG12 ' B' ' 23' ' ' ILE . 38.7 mmt180 -127.29 132.81 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 0.0 111.039 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -68.37 145.65 53.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' B' ' 19' ' ' SER . 88.6 mt -54.44 -40.96 68.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -59.76 -32.48 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.419 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.88 -54.84 32.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.273 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.455 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.0 m-85 -82.7 20.76 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.822 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 49.49 34.14 6.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.5 mt -69.18 126.43 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.1 -155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.09 145.07 29.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 88.7 mt-10 60.1 40.32 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 -151.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 88.1 m -158.64 128.96 5.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.73 134.96 53.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.603 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 34.0 m-70 -95.81 127.67 42.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 111.74 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' B' ' 41' ' ' GLN . 68.7 tp -95.67 126.97 41.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.895 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' B' ' 8' ' ' LEU . 70.2 t -141.27 133.49 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.106 0.479 . . . . 0.0 111.157 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' B' ' 40' ' ' GLN . 59.5 tp -75.51 133.93 40.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.328 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 99.7 mtt180 -75.12 -134.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.691 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.76 138.18 58.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.974 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' B' ' 74' ' ' ARG . 28.0 tpt180 -168.15 47.22 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 0.0 110.217 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.61 137.06 44.51 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.735 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.6 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.671 0.272 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -67.05 130.92 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.94 41.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' ND1' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.12 -23.81 63.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.457 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 14.9 pt-20 -50.66 -38.63 47.56 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.637 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -58.32 -47.93 82.16 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 62.3 mttp -60.97 -38.21 85.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.361 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD21 ' HD2' ' A' ' 25' ' ' LYS . 62.0 tp -60.09 -39.26 85.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -59.4 -46.25 89.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.293 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.563 HG22 ' SD ' ' A' ' 19' ' ' MET . 7.0 mm -56.34 -42.82 75.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HB3' HD13 ' A' ' 28' ' ' LEU . 96.7 mt -58.68 -41.51 86.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.42 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.559 ' SD ' ' HD3' ' A' ' 25' ' ' LYS . 75.4 mtm -62.08 -51.37 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.4 t70 -67.71 -36.28 80.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.094 0.473 . . . . 0.0 110.483 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.634 ' HG3' ' HD1' ' B' ' 68' ' ' HIS . 6.9 mtt -69.2 -33.14 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.509 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -136.79 64.92 52.0 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 71.4 Cg_exo -49.83 -42.28 44.66 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.713 2.275 . . . . 0.0 112.584 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.91 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.484 HG21 ' HG ' ' A' ' 28' ' ' LEU . 72.5 mt -68.97 134.26 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -65.2 140.95 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HD3' ' SD ' ' A' ' 17' ' ' MET . 25.7 ttpp -56.26 -37.56 69.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -55.65 -48.35 75.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.9 ttmp? -61.03 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 16' ' ' LEU . 85.8 mt -57.82 -40.05 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.62 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 52.0 tt0 -62.91 -42.58 99.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 68.6 t -59.06 -49.26 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -60.36 -41.5 93.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD23 ' ND1' ' A' ' 9' ' ' HIS . 56.0 tp -61.14 -42.58 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 89.7 mt -62.74 -44.46 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 56.5 mt-10 -58.53 -54.5 46.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.263 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -81.1 36.71 0.42 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 64.48 -73.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.271 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 177.37 36.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -97.15 130.13 44.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' A' ' 43' ' ' ILE . 68.6 mt -79.59 -43.51 22.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.001 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.24 -50.78 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 41' ' ' LEU . 94.8 mt -68.98 -57.6 5.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.438 HG23 HD21 ' A' ' 46' ' ' LEU . 91.8 m -55.94 -62.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.444 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 39' ' ' LEU . 63.2 mt -57.37 -40.17 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.96 -46.0 55.79 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.854 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.8 -39.04 76.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.808 0.337 . . . . 0.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 42' ' ' THR . 4.1 mm? -56.38 -39.04 72.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' B' ' 48' ' ' LYS . 47.3 mt -54.86 -49.34 71.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.844 0.354 . . . . 0.0 110.765 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -83.86 43.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -71.08 -46.97 60.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.44 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -61.47 -51.08 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.447 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.82 131.13 46.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.107 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -177.04 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.725 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -74.99 -147.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.884 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.879 0.371 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.65 140.69 56.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.739 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.597 HD12 HG23 ' B' ' 17' ' ' VAL . 35.7 pt -142.16 133.29 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.577 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.65 134.66 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.712 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.494 HG23 HD11 ' B' ' 30' ' ' ILE . 56.0 t -116.11 85.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 88.0 tttt -75.46 135.34 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.277 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -105.29 153.34 21.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.486 HD21 HG23 ' A' ' 15' ' ' ILE . 88.6 mt -49.95 -42.0 47.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -64.08 -61.34 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.15 59.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.54 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.442 ' HG2' HG12 ' B' ' 13' ' ' ILE . 24.1 ttmm -141.71 123.2 14.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.7 p -107.18 76.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.588 HG21 HD21 ' B' ' 15' ' ' LEU . 46.1 mm -69.81 123.47 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 89.0 m -91.09 134.93 34.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.588 HD21 HG21 ' B' ' 13' ' ' ILE . 3.6 mm? -133.48 145.27 50.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.442 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.64 126.5 44.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.774 HG11 HG21 ' B' ' 26' ' ' VAL . 28.1 m -152.63 140.53 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.418 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mp0 -65.76 144.66 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.364 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -57.67 -42.33 83.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.765 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -93.76 33.28 1.31 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 8.5 t0 -90.83 -123.74 0.07 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.377 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.411 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 9.4 t -166.45 141.86 4.53 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.9 mm -52.32 -41.53 34.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.38 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.09 -42.73 63.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -61.92 -41.66 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.774 HG21 HG11 ' B' ' 17' ' ' VAL . 60.3 t -57.56 -50.55 76.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.51 -36.45 80.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.02 -47.76 84.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.626 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 8.1 mtpm? -62.64 -45.06 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.494 HD11 HG23 ' B' ' 5' ' ' VAL . 72.1 mt -58.95 -41.57 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.448 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.44 -48.31 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -38.37 86.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.407 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.72 -72.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.491 ' OE2' HD13 ' B' ' 13' ' ' ILE . 61.1 mm-40 -74.3 -39.4 62.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.75 34.35 9.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.184 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -91.81 132.94 31.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.411 0.148 . . . . 0.0 111.014 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 53.2 Cg_exo -54.87 133.81 59.75 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.277 1.984 . . . . 0.0 112.03 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.57 -39.7 80.61 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 41' ' ' GLN . 8.6 t70 -67.85 -42.72 80.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -78.55 34.33 0.21 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.704 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.414 HE21 HD23 ' B' ' 69' ' ' LEU . 2.9 pt20 -162.59 136.99 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.651 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 1.0 OUTLIER -130.61 123.48 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 58.5 tp -79.12 129.0 34.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.578 HG12 HD21 ' A' ' 47' ' ' LEU . 96.1 mt -131.55 136.38 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.52 . . . . 0.0 111.326 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.419 ' CE2' HG12 ' B' ' 61' ' ' ILE . 22.4 t80 -157.79 151.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.195 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.458 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.66 -65.81 0.26 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.636 0.585 . . . . 0.0 110.724 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.04 23.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.329 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.749 ' HA ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -173.34 164.07 4.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.215 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 41.5 tt0 -64.8 128.54 36.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.578 HD11 HD23 ' B' ' 67' ' ' LEU . 76.2 mt -76.72 135.57 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.259 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.32 138.56 58.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.63 50.47 1.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.28 50.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.1 mmt180 -147.76 137.82 22.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.937 0.399 . . . . 0.0 111.176 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -63.38 151.4 41.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.856 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.01 -44.85 87.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.004 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -57.71 -29.01 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.701 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -53.95 -53.4 53.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.123 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.465 ' HB2' HG13 ' B' ' 61' ' ' ILE . 32.8 m-85 -83.78 17.77 2.2 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.577 0.227 . . . . 0.0 110.859 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 51.42 37.11 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 0.0 110.305 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.465 HG13 ' HB2' ' B' ' 59' ' ' TYR . 74.8 mt -64.08 126.72 23.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.409 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -87.44 146.63 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.843 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -49.6 141.4 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.041 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 60.94 38.06 17.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.746 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.5 p -68.53 142.25 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -96.06 87.26 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.697 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.578 HD23 HD11 ' B' ' 50' ' ' LEU . 9.0 mp -85.76 134.1 33.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.159 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.634 ' HD1' ' HG3' ' A' ' 19' ' ' MET . 34.3 m170 -96.32 130.37 43.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.414 HD23 HE21 ' B' ' 41' ' ' GLN . 66.2 tp -110.46 120.63 43.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.74 118.62 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.43 136.42 34.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -68.84 -51.51 39.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.3 134.33 48.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.55 136.9 57.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.821 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.36 45.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.393 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.468 -1.184 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.6 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -168.18 139.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.019 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 t0 62.3 41.14 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.68 -23.93 58.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.97 -35.53 34.17 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -59.6 -46.0 90.24 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 109.505 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 3.6 mptp? -63.47 -40.25 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.24 -37.31 77.23 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.076 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' SER . 49.2 m -60.48 -45.13 94.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.49 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG23 HD12 ' B' ' 8' ' ' LEU . 10.1 mm -59.34 -39.01 77.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 28' ' ' LEU . 94.8 mt -59.48 -45.14 92.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.424 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 68.8 mtm -63.87 -49.21 73.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.698 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.52 -48.01 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.398 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HB2' ' HD1' ' B' ' 68' ' ' HIS . 50.5 ttm -58.18 -45.01 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.584 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 17.6 m-85 -105.0 90.64 3.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.36 44.58 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.57 2.18 . . . . 0.0 112.568 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.6 41.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.588 HG21 ' HG ' ' A' ' 28' ' ' LEU . 77.8 mt -149.06 133.15 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.424 ' HG ' ' HZ1' ' A' ' 27' ' ' LYS . 84.4 p -62.55 138.73 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.7 -41.76 77.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.7 m -55.87 -46.96 78.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.8 ttmp? -59.63 -45.55 91.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HG ' HG21 ' A' ' 23' ' ' ILE . 96.8 mt -58.08 -42.35 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.22 -42.9 99.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 65.4 t -58.22 -52.11 62.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.0 -43.37 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.039 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 9' ' ' HIS . 56.9 tp -55.18 -47.47 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.554 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.82 -48.22 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 69.2 mm-40 -52.29 -46.3 65.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.685 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 73.5 m-80 -64.86 -78.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.36 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 15.9 p-10 166.96 38.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.296 0.373 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.75 50.47 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.75 128.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' HB3' HD11 ' A' ' 43' ' ' ILE . 61.2 mt -76.98 -42.92 36.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.698 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -54.2 -47.34 72.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.605 0.24 . . . . 0.0 111.196 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.49 -59.64 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.842 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 m -55.65 -63.75 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.289 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HB3' ' A' ' 39' ' ' LEU . 66.0 mt -52.3 -42.41 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.796 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -52.3 -41.38 54.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.301 -0.952 . . . . 0.0 110.79 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.36 -43.7 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.307 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.5 mm? -55.64 -45.21 77.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.233 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' B' ' 49' ' ' GLN . 48.4 mt -57.47 -47.14 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.121 0.486 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 44' ' ' GLY . 60.5 pttt -88.11 42.21 1.05 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.82 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 4.3 tm-20 -62.62 -50.75 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.682 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -67.64 -45.1 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 57.8 47.74 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.14 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -175.75 137.26 0.34 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.355 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 3.1 mppt? -56.22 133.54 52.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.902 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.565 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 23.6 ptm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.445 ' C ' HG23 ' B' ' 3' ' ' ILE . 18.1 pt20 -85.48 144.91 27.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.495 HD11 HG13 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -128.82 138.76 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -83.36 145.88 28.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.579 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -140.61 92.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 39.9 ttpt -93.59 133.86 36.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.634 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -74.57 148.54 40.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.548 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.652 HD21 HG13 ' B' ' 70' ' ' VAL . 25.9 tp -48.27 -34.96 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -66.46 -58.76 4.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.34 64.67 0.01 OUTLIER Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 60.2 tttm -154.15 109.86 3.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.066 0.433 . . . . 0.0 111.369 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 41.4 p -80.92 142.4 33.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.592 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.472 HG23 HD22 ' B' ' 15' ' ' LEU . 48.9 mt -134.44 119.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.443 ' C ' HD22 ' B' ' 15' ' ' LEU . 74.2 m -90.73 133.75 34.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.792 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.473 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.7 mm? -133.84 148.58 51.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -96.07 122.45 38.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.464 HG13 HG23 ' B' ' 26' ' ' VAL . 26.7 m -152.84 138.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.968 0.413 . . . . 0.0 111.714 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.88 147.04 53.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.987 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.565 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 42.7 t -60.91 -40.47 93.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -87.89 29.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' B' ' 22' ' ' THR . 45.0 t0 -91.36 -134.73 0.13 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.08 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.416 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 9.1 t -161.84 146.43 12.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.719 0.295 . . . . 0.0 111.262 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.8 mm -50.63 -40.19 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.193 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.25 -43.53 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.666 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.4 ' HB2' HG23 ' B' ' 22' ' ' THR . 2.0 m120 -66.07 -44.74 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.548 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.495 HG13 HD11 ' B' ' 3' ' ' ILE . 58.8 t -58.56 -53.57 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.646 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.503 ' NZ ' HG21 ' B' ' 23' ' ' ILE . 13.1 mptt -63.8 -28.46 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.573 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 46.3 t -60.96 -48.66 80.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.97 -42.61 98.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.566 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.473 HG12 ' HG ' ' B' ' 15' ' ' LEU . 67.9 mt -61.96 -34.72 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.145 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 70.4 tp60 -61.71 -49.12 77.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.49 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.88 -36.09 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.98 -68.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.087 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -80.07 -41.71 25.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.3 37.0 11.48 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.976 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.417 HG22 ' HD2' ' B' ' 37' ' ' PRO . 45.4 mm -95.01 132.11 28.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.43 0.157 . . . . 0.0 110.798 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -52.03 138.68 52.83 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.592 2.194 . . . . 0.0 112.271 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.65 -45.24 6.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.893 2.395 . . . . 0.0 112.813 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.5 -45.19 94.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.257 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.49 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.6 OUTLIER -63.94 -49.91 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.571 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -65.55 131.68 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 111.224 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -116.18 119.64 36.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 17.5 mt -77.51 125.35 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.519 HD11 HD11 ' A' ' 47' ' ' LEU . 90.8 mt -136.32 134.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.482 0.658 . . . . 0.0 111.835 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.407 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.8 t80 -168.37 142.6 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.236 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.26 22.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 0.0 110.071 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.56 33.31 66.51 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.174 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -152.63 139.49 19.02 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.611 0.243 . . . . 0.0 110.868 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.689 ' HB2' HD12 ' A' ' 47' ' ' LEU . 52.8 tt0 -65.43 126.86 29.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.284 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' B' ' 45' ' ' PHE . 76.8 mt -83.84 130.95 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.911 0.386 . . . . 0.0 111.446 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -81.29 137.48 35.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.506 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 53.5 m-20 -59.85 -49.39 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.35 60.94 4.48 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.681 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.599 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 5.7 tpm_? -151.68 136.93 17.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.556 ' H ' ' HE ' ' B' ' 54' ' ' ARG . 74.9 p -74.51 149.45 40.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.239 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.36 -39.01 75.07 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.15 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -52.83 -36.95 59.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.29 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.599 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 60.3 t0 -56.08 -57.15 13.36 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.457 ' HB2' HG13 ' B' ' 61' ' ' ILE . 93.7 m-85 -78.07 13.13 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.237 -0.185 . . . . 0.0 111.469 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 49.0 34.71 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.9 mt -64.95 122.94 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.54 -157.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.707 ' HZ1' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -93.61 141.54 28.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.435 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 50.7 mt-10 58.83 36.72 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -73.7 135.81 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.503 ' C ' HD11 ' B' ' 67' ' ' LEU . 86.5 m -87.75 127.03 35.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.503 HD11 ' C ' ' B' ' 66' ' ' THR . 7.5 mp -116.94 131.82 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.37 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 40.5 m170 -89.95 129.07 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.6 107.91 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.108 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.652 HG13 HD21 ' B' ' 8' ' ' LEU . 96.6 t -93.83 123.25 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.01 135.79 39.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -62.36 -47.15 85.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.435 ' HA ' HD21 ' B' ' 73' ' ' LEU . 98.1 mt -62.39 138.3 58.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' B' ' 74' ' ' ARG . 50.9 mtm-85 -79.5 45.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.11 133.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.497 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.537 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.837 0.351 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 9' ' ' HIS . 1.4 m-20 -145.54 -33.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.589 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -75.63 39.35 0.16 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.29 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' ND1' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.34 -24.14 66.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 95.4 mt-10 -51.1 -36.68 41.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.4 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -58.3 -47.44 83.67 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.69 -38.92 92.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.051 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.7 tp -58.01 -39.41 78.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.239 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -60.8 -45.04 95.96 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.645 HG23 HD13 ' B' ' 8' ' ' LEU . 16.6 mm -56.88 -39.22 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 28' ' ' LEU . 74.0 mt -61.56 -45.5 93.87 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.953 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.409 ' HB3' ' HE2' ' A' ' 17' ' ' MET . 85.9 mtp -54.97 -52.55 62.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -71.01 -29.98 66.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.437 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.58 ' SD ' HG23 ' B' ' 44' ' ' ILE . 63.4 tpp -61.55 -44.14 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.5 m-85 -120.55 109.69 36.2 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.39 52.36 4.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.746 2.297 . . . . 0.0 112.951 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.45 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.509 HG23 ' HD3' ' A' ' 27' ' ' LYS . 61.6 mt -63.34 133.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.393 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -65.14 142.2 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.58 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -55.94 -41.62 74.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.084 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -60.15 -46.0 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HE2' ' HE2' ' A' ' 31' ' ' HIS . 88.4 tttt -58.83 -46.79 86.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 16' ' ' LEU . 91.1 mt -57.21 -40.03 76.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.683 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -61.82 -44.28 97.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.365 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.8 t -58.74 -48.11 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' HE2' ' HE2' ' A' ' 27' ' ' LYS . 89.2 m-70 -60.97 -39.8 90.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' ND1' ' A' ' 9' ' ' HIS . 54.9 tp -60.2 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.024 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.83 -45.07 93.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.21 -47.17 85.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.919 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -79.27 38.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 m120 48.61 41.14 16.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.22 44.32 29.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.453 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -115.18 123.93 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' B' ' 8' ' ' LEU . 83.5 mt -75.23 -40.74 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -58.68 -43.22 89.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.511 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -74.08 -53.19 10.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 111.345 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.513 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 92.8 m -55.61 -55.96 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.576 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 64.8 mt -61.63 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.48 33.35 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.574 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -69.51 -44.25 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.218 0.532 . . . . 0.0 110.087 179.252 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 42' ' ' THR . 88.4 mt -62.51 -38.22 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.514 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' B' ' 48' ' ' LYS . 61.6 mt -50.69 -45.45 58.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.025 0.44 . . . . 0.0 110.299 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . 52.3 mtmt -83.24 43.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.642 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.85 -45.47 85.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.407 ' HA ' ' HZ1' ' A' ' 53' ' ' LYS . 18.4 p30 -170.69 55.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.329 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' OD2' ' HA ' ' A' ' 48' ' ' LYS . 58.4 m-20 -64.77 -137.8 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.21 -42.31 90.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.39 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -57.05 144.96 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.939 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.649 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.998 0.428 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.61 HE22 ' HB2' ' B' ' 16' ' ' GLU . 95.9 mm-40 -65.96 148.76 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.1 pt -136.59 134.83 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.725 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.498 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.3 m-85 -79.66 142.51 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.439 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.527 HG12 HD12 ' B' ' 30' ' ' ILE . 48.8 t -137.97 77.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.936 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.442 ' NZ ' HD13 ' A' ' 15' ' ' ILE . 60.7 tttm -75.04 124.73 27.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -75.05 149.16 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.645 HD13 HG23 ' A' ' 15' ' ' ILE . 25.2 tp -50.85 -37.72 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -67.6 -56.19 10.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.4 -41.37 0.24 Allowed Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.97 126.88 19.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.305 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 62.8 m -100.74 138.53 37.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.68 HG21 HD21 ' B' ' 15' ' ' LEU . 56.3 mt -129.15 130.15 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.7 m -106.93 134.96 49.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.351 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 13' ' ' ILE . 3.2 mm? -131.06 144.68 51.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 111.033 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.61 ' HB2' HE22 ' B' ' 2' ' ' GLN . 37.8 tt0 -91.56 128.57 37.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.047 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' B' ' 3' ' ' ILE . 29.7 m -152.48 134.31 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 111.373 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.5 tp10 -66.35 154.92 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.411 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 78.8 p -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 80.3 p -90.31 35.1 0.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 22' ' ' THR . 32.4 t70 -78.22 -130.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.305 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.437 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.1 t -176.93 139.41 0.28 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.624 0.25 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.617 HD11 HD12 ' B' ' 50' ' ' LEU . 50.5 mm -53.58 -40.57 42.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.54 -45.06 69.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.553 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 26.3 t-20 -60.98 -40.32 92.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.465 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.4 t -56.39 -49.81 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.746 ' HZ3' ' HG ' ' B' ' 43' ' ' LEU . 66.3 mttm -61.47 -37.23 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -58.3 -50.15 74.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.553 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.2 mttm -61.23 -45.09 95.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.527 HD12 HG12 ' B' ' 5' ' ' VAL . 72.0 mt -58.04 -39.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.253 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.589 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 45.3 tt0 -61.99 -43.58 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.85 -43.75 97.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' B' ' 33' ' ' LYS . 7.7 mtpm? -69.88 -67.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.57 -42.67 74.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.25 40.7 6.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.044 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.768 HG21 HD12 ' B' ' 71' ' ' LEU . 74.4 mt -112.96 134.59 21.75 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.159 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 71.7 Cg_exo -51.17 139.7 42.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.427 2.084 . . . . 0.0 112.113 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.589 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 21.0 Cg_endo -60.75 -38.8 68.29 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.813 2.342 . . . . 0.0 112.696 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -57.25 -46.46 83.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.525 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -57.22 7.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 18.2 pt20 -62.16 142.64 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.597 ' HA ' ' HZ2' ' B' ' 27' ' ' LYS . 54.5 ttp180 -142.91 125.69 16.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.746 ' HG ' ' HZ3' ' B' ' 27' ' ' LYS . 90.8 mt -82.94 137.22 34.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.589 HG12 HD22 ' A' ' 47' ' ' LEU . 87.7 mt -127.09 142.48 43.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.437 ' N ' HG22 ' B' ' 44' ' ' ILE . 36.0 t80 -165.46 149.97 8.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.973 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.62 33.28 18.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.03 32.47 76.98 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.704 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.723 ' HA ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -172.55 145.56 1.6 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 117.241 0.521 . . . . 0.0 111.218 179.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HB3' HD13 ' A' ' 47' ' ' LEU . 19.4 pt20 -58.94 130.5 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.367 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.617 HD12 HD11 ' B' ' 23' ' ' ILE . 97.1 mt -76.37 135.28 39.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.41 134.38 48.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.17 144.08 55.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.71 -26.94 5.56 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.873 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.506 ' O ' HG12 ' B' ' 23' ' ' ILE . 7.6 tpt180 -65.16 132.74 49.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.694 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -69.34 149.38 48.49 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 112.143 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' B' ' 61' ' ' ILE . 41.2 mt -57.05 -43.74 82.31 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -53.33 -35.89 60.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.083 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -55.48 -52.09 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.632 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.57 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.0 m-85 -79.91 13.33 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.87 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 50.37 37.34 15.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 0.0 110.053 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.57 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.8 mt -62.81 125.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.71 148.59 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.442 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.692 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 86.4 tttt -50.3 141.51 11.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.692 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 56.5 mt-10 61.7 40.83 12.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -68.46 135.96 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 47.0 m -80.98 83.11 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.7 mt -84.86 131.28 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.035 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.56 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 49.1 m170 -100.54 128.06 46.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.079 0.466 . . . . 0.0 112.136 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.548 HD12 HD22 ' B' ' 43' ' ' LEU . 61.4 tp -100.78 134.01 44.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.997 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' B' ' 8' ' ' LEU . 88.5 t -136.7 128.63 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.768 HD12 HG21 ' B' ' 36' ' ' ILE . 2.8 mm? -81.96 140.22 34.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.275 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -69.74 -49.12 56.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.725 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.794 ' HG ' ' HD3' ' B' ' 74' ' ' ARG . 33.2 tp -66.12 128.9 37.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.83 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.794 ' HD3' ' HG ' ' B' ' 73' ' ' LEU . 1.0 OUTLIER 51.87 -133.78 1.73 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.917 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.0 -44.62 0.03 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.561 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.456 -1.191 . . . . 0.0 112.543 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.529 0.204 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -76.9 -24.5 52.52 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.401 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.9 mp0 -51.2 -40.7 59.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG12 ' A' ' 15' ' ' ILE . 60.4 m -59.39 -46.29 89.1 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 39' ' ' LEU . 89.9 mttt -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.709 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 57.4 tp -59.7 -38.77 82.5 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.389 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -60.59 -44.77 95.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.001 HG21 HD12 ' B' ' 8' ' ' LEU . 19.4 mm -55.86 -40.95 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.237 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.1 mt -62.61 -44.27 96.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.1 mtt -54.71 -49.96 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.12 -31.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.838 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.2 tpp -62.56 -38.56 90.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.87 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 11.2 m-85 -127.52 98.46 28.74 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.35 50.25 3.3 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.607 2.205 . . . . 0.0 112.53 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -163.53 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.474 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 27' ' ' LYS . 65.2 mt -61.41 131.59 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -66.17 142.76 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.629 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -53.35 -35.25 60.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 m -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 23' ' ' ILE . 24.6 ttmm -62.87 -44.34 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.776 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 95.0 mt -57.0 -44.38 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 64.6 tt0 -65.54 -43.31 90.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.24 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 26' ' ' SER . 92.6 t -60.67 -56.55 17.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.776 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.7 p80 -61.4 -42.91 99.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 47.7 tp -57.07 -47.7 80.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.393 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -61.39 -48.64 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.692 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.19 -45.5 91.46 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -77.74 33.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 47.41 41.8 13.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.737 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 55.71 38.94 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.681 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -93.21 131.02 38.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.734 0.302 . . . . 0.0 110.831 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.712 HD13 HD11 ' B' ' 8' ' ' LEU . 87.6 mt -95.95 -43.92 7.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.86 -51.01 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.4 -54.75 11.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 111.797 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.691 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.1 m -54.39 -56.04 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.329 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.6 mt -60.48 -41.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.852 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.05 44.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.005 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD12 ' HD3' ' A' ' 48' ' ' LYS . 62.5 tp -69.87 -38.52 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 110.714 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.5 mt -61.84 -34.67 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.555 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 91.4 mt -56.76 -50.8 71.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.423 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.1 -35.21 79.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.562 -179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 57.4 mm-40 . . . . . 0 N--CA 1.463 0.183 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.339 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 4.4 pm0 -152.61 142.57 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 pt -118.06 138.94 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.418 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -78.86 145.89 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.98 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.542 HG11 HD13 ' B' ' 30' ' ' ILE . 59.4 t -126.35 84.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.681 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HB2' HG22 ' B' ' 12' ' ' THR . 61.1 tttm -77.84 133.11 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.202 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.2 p -92.2 151.75 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.001 HD12 HG21 ' A' ' 15' ' ' ILE . 19.0 tp -52.56 -36.36 55.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -70.15 -61.48 1.76 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.748 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.8 63.03 0.01 OUTLIER Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.346 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -157.08 123.59 4.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.537 HG22 ' HB2' ' B' ' 6' ' ' LYS . 80.7 p -105.38 137.11 43.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.535 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.535 HG22 ' CD2' ' B' ' 15' ' ' LEU . 70.8 mt -122.0 129.05 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.613 ' C ' HD22 ' B' ' 15' ' ' LEU . 86.8 m -88.19 123.04 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.719 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.613 HD22 ' C ' ' B' ' 14' ' ' THR . 3.0 mm? -124.17 124.54 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.583 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.6 128.03 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.757 HG11 HG22 ' B' ' 26' ' ' VAL . 35.3 m -147.63 138.86 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.12 0.486 . . . . 0.0 111.749 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -70.45 148.38 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.039 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -105.26 36.03 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -83.06 -126.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.544 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.539 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.4 t -169.49 140.55 2.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 54' ' ' ARG . 35.4 mm -56.66 -40.95 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 8.5 t70 -53.82 -42.37 68.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.539 ' H ' HG23 ' B' ' 22' ' ' THR . 54.3 t-20 -58.15 -43.03 87.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.949 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.757 HG22 HG11 ' B' ' 17' ' ' VAL . 52.5 t -58.46 -45.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.747 ' HE3' HD23 ' B' ' 43' ' ' LEU . 64.0 mttp -59.16 -42.05 89.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.475 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -46.33 89.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.093 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.542 HD13 HG11 ' B' ' 5' ' ' VAL . 76.1 mt -57.53 -40.89 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 109.804 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.82 -39.14 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.64 -43.8 97.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.305 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.48 ' NZ ' HD13 ' B' ' 15' ' ' LEU . 98.7 mttt -69.66 -63.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -73.25 -45.83 53.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.9 30.2 9.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.617 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.444 HG21 ' CD2' ' B' ' 71' ' ' LEU . 49.2 mm -101.06 135.0 20.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 46.7 Cg_exo -55.95 136.31 74.14 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.295 1.997 . . . . 0.0 111.864 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.26 -42.01 60.78 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.614 2.21 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -60.14 -43.99 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 11.3 mm100 -64.68 -52.93 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.448 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.7 pt20 -68.87 135.78 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 111.338 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 39.1 mmt180 -110.34 109.53 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 ' HE3' ' B' ' 27' ' ' LYS . 2.9 mm? -81.88 82.69 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 74.8 mt -84.31 143.84 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.652 ' HE2' HG12 ' B' ' 61' ' ' ILE . 18.9 t80 -166.5 141.65 4.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.0 33.7 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.209 0.528 . . . . 0.0 110.275 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.57 71.76 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.598 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.6 ttpm? -173.19 138.94 0.76 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.073 0.436 . . . . 0.0 111.738 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.575 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 18.2 tt0 -59.28 129.56 42.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' B' ' 45' ' ' PHE . 61.6 mt -71.05 134.18 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.612 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.1 mt-10 -66.88 135.15 53.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -66.85 138.6 57.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 73.97 45.09 27.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.974 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.612 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 45.9 mmm-85 -131.2 130.78 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 110.977 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -67.88 144.27 55.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.629 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.452 HD23 HD12 ' B' ' 61' ' ' ILE . 87.4 mt -54.99 -32.5 61.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.45 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.3 p -52.17 -43.66 64.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.99 -53.81 54.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.579 0.228 . . . . 0.0 111.547 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -77.37 -9.5 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 111.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.53 39.02 25.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.773 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.652 HG12 ' HE2' ' B' ' 45' ' ' PHE . 74.1 mt -68.04 125.78 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -76.75 -154.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -102.75 144.21 31.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.677 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.28 36.76 20.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.799 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -68.38 135.23 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.607 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.4 m -87.8 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.461 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -85.87 128.67 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.289 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 43.7 m170 -86.98 144.2 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 111.86 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.515 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.5 tt -126.98 120.77 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.746 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.951 HG13 HD22 ' B' ' 8' ' ' LEU . 95.4 t -117.02 122.13 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' B' ' 36' ' ' ILE . 93.3 mt -73.62 133.06 43.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.87 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.846 0.355 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.672 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -51.06 -40.56 58.6 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -59.98 -46.03 90.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.981 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.5 mttp -60.94 -38.86 87.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.637 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.36 -41.88 85.73 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.355 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -58.61 -43.72 89.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.126 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.759 HG21 HD23 ' B' ' 8' ' ' LEU . 19.4 mm -58.19 -39.23 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.011 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' HD13 ' A' ' 28' ' ' LEU . 80.1 mt -60.01 -50.59 73.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.218 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.402 ' SD ' ' HE2' ' A' ' 25' ' ' LYS . 78.5 mtm -56.36 -45.74 80.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.66 -33.37 72.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.854 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.6 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 62.2 tpp -64.21 -36.44 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.573 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.688 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.7 m-85 -128.98 108.06 18.16 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.12 54.86 5.41 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.654 2.236 . . . . 0.0 113.046 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.37 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.657 HG23 ' HD3' ' A' ' 27' ' ' LYS . 53.7 mt -61.86 133.63 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.516 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -69.72 147.25 50.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 17' ' ' MET . 40.7 ttmt -54.52 -39.74 67.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.6 p -58.65 -49.51 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.214 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.1 tttp -59.91 -47.36 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.5 mt -58.43 -41.12 84.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.511 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp60 -59.65 -44.06 93.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 97.5 t -60.0 -47.67 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -60.49 -43.99 96.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -61.98 -44.51 96.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.199 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.1 mm-40 -61.29 -49.14 78.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -83.72 27.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.045 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 64.57 -72.96 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.989 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -162.09 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -39.27 123.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.11 0.481 . . . . 0.0 111.751 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 12' ' ' LYS . 81.7 mt -85.22 -42.23 14.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.355 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 8.1 t70 -59.36 -41.64 89.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.139 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 5.6 tt -68.21 -56.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.517 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' HD23 ' A' ' 46' ' ' LEU . 92.0 m -57.1 -64.38 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.688 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.1 mt -55.56 -38.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.801 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.09 -47.96 53.64 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.674 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.5 tp -67.12 -38.32 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 42' ' ' THR . 4.2 mm? -55.72 -45.12 77.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD13 ' HB3' ' B' ' 49' ' ' GLN . 52.3 mt -54.13 -50.68 66.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.252 0.549 . . . . 0.0 109.819 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -80.83 43.0 0.66 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.699 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.884 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.504 ' HE3' ' HA ' ' B' ' 63' ' ' LYS . 26.6 ttt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.863 0.364 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.01 149.86 25.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.7 pt -136.77 133.97 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -92.34 148.09 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.384 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.917 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.2 t -131.89 78.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.108 0.48 . . . . 0.0 110.531 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.9 tttt -65.28 124.41 22.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.373 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.54 152.68 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.969 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.936 HD11 HG13 ' B' ' 70' ' ' VAL . 95.3 mt -51.3 -35.28 37.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -62.92 -59.72 4.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.575 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.02 57.53 0.01 OUTLIER Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.262 -0.97 . . . . 0.0 113.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -161.76 123.14 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 111.128 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.599 HG22 ' HB2' ' B' ' 6' ' ' LYS . 79.0 p -88.76 132.45 34.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.345 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.917 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 74.3 mt -98.41 123.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -90.48 133.97 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' B' ' 33' ' ' LYS . 81.2 mt -149.39 141.34 23.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -95.32 127.38 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.268 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.43 HG21 HD13 ' B' ' 3' ' ' ILE . 27.5 m -153.77 142.95 14.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.675 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 4.6 mm-40 -66.42 146.44 54.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.795 ' HA ' HD12 ' B' ' 56' ' ' LEU . 79.2 p -62.01 -34.43 76.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -95.87 29.95 2.54 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -84.29 -123.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.63 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.0 t -171.72 141.35 1.42 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.0 111.036 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.664 HD12 HD13 ' B' ' 50' ' ' LEU . 50.8 mm -53.84 -40.66 45.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.28 -46.07 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.63 ' H ' HG23 ' B' ' 22' ' ' THR . 53.6 t-20 -60.78 -41.83 96.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 30' ' ' ILE . 86.1 t -58.03 -49.74 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HE3' HD13 ' B' ' 43' ' ' LEU . 61.4 mttp -59.22 -39.67 83.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.567 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -59.5 -44.9 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.361 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.35 -40.83 96.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.43 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 26' ' ' VAL . 91.5 mt -62.46 -38.99 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.659 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.401 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 59.9 tt0 -65.42 -46.27 80.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.518 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.89 -45.92 73.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.864 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.526 ' HD3' HD21 ' B' ' 15' ' ' LEU . 65.1 tttp -67.88 -61.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.21 -37.54 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.791 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.84 47.84 5.16 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.66 133.72 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.498 0.19 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.2 Cg_endo -55.86 137.21 78.04 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.549 2.166 . . . . 0.0 112.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.4 Cg_endo -59.76 -33.3 96.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.735 2.29 . . . . 0.0 112.394 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -57.25 -46.15 83.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.62 -56.89 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.422 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.1 pt20 -67.14 141.58 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.243 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -138.76 120.78 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 8.5 mp -82.28 137.62 34.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.449 HD13 HD21 ' A' ' 47' ' ' LEU . 79.4 mt -130.27 142.61 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.143 0.496 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.9 t80 -161.48 140.06 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.569 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 32.91 22.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.91 26.67 74.49 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.66 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD22 ' A' ' 47' ' ' LEU . 32.5 mtmm -157.34 141.22 16.01 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.006 0.403 . . . . 0.0 111.576 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.582 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.2 pm0 -61.18 136.34 58.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.664 HD13 HD12 ' B' ' 23' ' ' ILE . 88.9 mt -64.22 129.76 41.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.8 mt-10 -74.28 132.32 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.85 137.67 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.45 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 72.41 46.89 31.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.564 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.571 ' O ' HG12 ' B' ' 23' ' ' ILE . 50.8 mmt-85 -138.49 133.54 32.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -63.31 148.72 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.4 mt -54.53 -37.05 64.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.2 t -54.81 -26.91 38.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.585 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.32 -57.26 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.419 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.416 ' OH ' ' HG3' ' B' ' 51' ' ' GLU . 13.2 m-85 -85.74 31.91 0.6 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.44 35.82 11.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.422 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.556 HG23 ' OG ' ' B' ' 65' ' ' SER . 72.1 mt -72.55 121.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -89.64 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' B' ' 1' ' ' MET . 24.1 pttm -179.93 140.74 0.14 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 61.02 41.27 14.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.556 ' OG ' HG23 ' B' ' 61' ' ' ILE . 60.0 m -74.25 139.37 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 71.3 m -85.72 88.9 7.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.204 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 75.6 mt -86.09 134.5 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.6 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 13.7 m-70 -94.72 133.01 38.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.702 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.5 tt -107.79 135.23 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.606 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.936 HG13 HD11 ' B' ' 8' ' ' LEU . 99.2 t -135.11 125.8 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.07 141.85 35.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HA ' ' OD2' ' A' ' 40' ' ' ASP . 71.4 ttt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.369 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -73.38 -23.64 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 68.8 mm-40 -49.9 -39.09 38.62 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.503 ' OG ' ' HD2' ' A' ' 12' ' ' LYS . 91.8 p -61.11 -49.7 76.22 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.825 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.6 -37.55 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.561 178.333 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.598 ' HA ' HD12 ' A' ' 16' ' ' LEU . 54.4 tp -61.35 -40.22 93.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.969 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -59.84 -49.66 76.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.593 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.843 HG21 HD12 ' B' ' 8' ' ' LEU . 1.8 mp -58.81 -37.93 69.42 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 13' ' ' LEU . 86.7 mt -60.66 -44.7 96.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.787 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.5 mtp -57.98 -50.8 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.65 -29.34 65.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.533 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 63.5 tpp -63.97 -41.12 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.032 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 13.1 m-85 -123.1 97.48 43.31 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.54 51.11 3.18 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.055 2.503 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.74 -39.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.458 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 27' ' ' LYS . 70.0 mt -62.01 132.31 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -64.2 140.77 58.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.513 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -50.85 -37.16 41.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -59.19 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.0 tttp -58.95 -43.31 91.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.999 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.787 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -57.79 -47.3 82.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.3 tt0 -64.02 -40.13 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.669 0.271 . . . . 0.0 111.197 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 26' ' ' SER . 85.7 t -61.77 -57.98 9.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.787 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 7.1 p80 -60.15 -41.84 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.109 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 40.8 tp -58.0 -47.05 84.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.29 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.1 mt -61.84 -46.22 90.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.451 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 4.8 mm-40 -65.31 -43.75 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.286 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -81.23 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 44.79 36.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.883 178.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 74.5 m-20 54.54 45.01 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.01 129.79 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.872 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 12' ' ' LYS . 75.7 mt -83.67 -54.0 5.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.886 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 62.8 t0 -57.5 -47.47 81.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -65.11 -64.05 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.073 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.5 m -52.14 -63.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.402 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.64 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 69.9 mt -52.18 -36.72 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.98 59.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.086 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 41' ' ' LEU . 10.0 mp -66.9 -40.23 87.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.607 0.241 . . . . 0.0 110.538 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 46' ' ' LEU . 4.0 mm? -55.54 -42.62 74.86 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' B' ' 48' ' ' LYS . 34.5 mt -55.37 -39.0 69.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.017 0.437 . . . . 0.0 110.19 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.93 39.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.297 179.836 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.919 0.39 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HB2' ' OE2' ' B' ' 64' ' ' GLU . 13.4 mp0 -69.04 148.89 49.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.797 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.536 HD13 HG21 ' B' ' 17' ' ' VAL . 35.3 pt -135.45 132.18 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.256 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.6 m-85 -79.09 143.22 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.4 t -130.77 78.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.588 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 55.2 tttm -75.5 127.7 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' LYS . 81.7 p -86.89 144.82 26.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.046 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.927 HD13 HG12 ' B' ' 70' ' ' VAL . 29.1 tp -52.84 -36.92 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -66.46 -60.49 2.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.68 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.64 63.07 0.01 OUTLIER Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.429 ' O ' HG23 ' B' ' 7' ' ' THR . 87.2 tttt -164.68 116.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.96 0.38 . . . . 0.0 111.125 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.0 m -99.51 139.72 34.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.45 HG21 ' HG2' ' B' ' 33' ' ' LYS . 54.1 mt -133.61 126.67 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.624 ' O ' HD13 ' B' ' 15' ' ' LEU . 89.2 m -99.16 130.12 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.679 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' B' ' 14' ' ' THR . 2.4 mm? -133.83 139.71 46.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.505 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 87.8 tt0 -76.97 134.36 38.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.536 HG21 HD13 ' B' ' 3' ' ' ILE . 30.4 m -147.79 137.76 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.901 0.381 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.523 ' HG2' ' H ' ' B' ' 20' ' ' SER . 43.7 tt0 -66.69 146.7 54.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.745 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -55.02 -40.49 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.932 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 78.1 p -92.39 36.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.386 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.607 ' O ' HG22 ' B' ' 55' ' ' THR . 57.1 p-10 -80.52 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.765 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.716 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.3 t -175.94 143.7 0.58 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 50' ' ' LEU . 50.7 mm -50.63 -42.94 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.28 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.35 -42.99 78.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.716 ' H ' HG23 ' B' ' 22' ' ' THR . 52.9 t-20 -59.36 -44.72 92.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 30' ' ' ILE . 51.4 t -56.57 -39.84 65.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.854 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.617 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 34.8 mmtp -59.55 -47.35 85.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.972 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t -55.82 -44.33 77.79 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HB3' ' B' ' 15' ' ' LEU . 28.3 mtpp -60.24 -43.93 95.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.8 mt -58.45 -40.46 78.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.34 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 9.2 mm100 -60.41 -49.55 77.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.36 0.6 . . . . 0.0 109.934 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.98 -29.91 67.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.183 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HG2' HG21 ' B' ' 13' ' ' ILE . 26.4 tptp -79.01 -40.1 32.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.542 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.4 -32.19 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.52 51.06 5.38 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 41' ' ' GLN . 66.2 mt -88.28 134.18 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.485 0.183 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 56.4 Cg_exo -51.44 138.89 47.05 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.316 2.011 . . . . 0.0 111.799 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.1 -47.52 19.86 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.473 2.116 . . . . 0.0 112.597 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.18 -40.45 94.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.4 tp60 -58.64 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.359 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.884 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.6 pt20 -74.74 146.28 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.445 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.627 ' HB3' HG23 ' B' ' 70' ' ' VAL . 14.2 tpp85 -144.98 119.96 10.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 50.4 mt -85.78 119.23 25.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 112.294 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 47' ' ' LEU . 89.5 mt -115.42 143.38 25.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.485 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.633 ' HB3' HD21 ' B' ' 50' ' ' LEU . 30.7 t80 -165.45 145.77 6.91 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.43 -34.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 165.18 -15.05 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.793 ' HA ' HD22 ' A' ' 47' ' ' LEU . 63.1 pttt -159.28 170.71 21.28 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.066 0.46 . . . . 0.0 112.002 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 55.6 tt0 -52.25 135.8 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.181 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' B' ' 45' ' ' PHE . 75.2 mt -82.87 35.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.322 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 23' ' ' ILE . 55.6 mt-10 51.16 -167.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 111.31 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.28 42.35 2.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.233 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.31 54.14 0.05 OUTLIER Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.423 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.461 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.6 mmm180 -148.05 135.14 20.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.14 0.495 . . . . 0.0 111.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.607 HG22 ' O ' ' B' ' 21' ' ' ASP . 40.9 p -65.46 141.86 58.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.605 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.498 ' CD2' HD12 ' B' ' 61' ' ' ILE . 71.7 mt -49.72 -24.51 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -56.87 -46.73 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 55' ' ' THR . 2.9 p-10 -59.62 -50.57 73.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.288 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.39 -16.93 63.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.637 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.93 40.58 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.317 0.579 . . . . 0.0 109.766 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.503 HD11 HD13 ' B' ' 50' ' ' LEU . 70.3 mt -67.49 125.24 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.466 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -75.97 155.71 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.777 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -62.53 147.17 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.742 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' B' ' 2' ' ' GLN . 43.3 mm-40 62.57 35.1 14.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.984 0.421 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -77.81 139.74 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.257 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 87.1 m -91.25 96.83 10.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.613 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -87.5 134.31 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.533 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 44.7 m170 -90.64 140.17 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 41' ' ' GLN . 47.4 tp -121.44 83.29 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.927 HG12 HD13 ' B' ' 8' ' ' LEU . 19.3 m -71.47 133.66 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.51 134.56 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 50.5 ttt-85 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -24.61 65.44 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.45 -35.6 40.32 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.793 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 14' ' ' SER . 39.1 t -59.73 -44.6 93.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.775 ' HB3' HD21 ' A' ' 39' ' ' LEU . 41.8 mmtm -62.01 -43.58 98.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.82 -37.66 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.412 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -61.65 -43.89 98.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.451 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.604 HG21 ' CD2' ' B' ' 8' ' ' LEU . 22.2 mm -56.33 -44.5 79.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.623 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.78 ' HB3' HD22 ' A' ' 28' ' ' LEU . 95.3 mt -59.18 -45.44 91.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.352 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.1 mtp -56.17 -52.84 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 61.4 t0 -73.26 -30.22 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 54.6 tpp -59.88 -37.45 79.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -128.82 106.58 18.45 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.91 51.62 3.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.937 2.425 . . . . 0.0 112.69 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.93 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.7 mt -66.3 132.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.144 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -57.71 138.83 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.228 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.38 -30.57 60.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.4 t -54.15 -48.04 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.442 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.62 -51.03 64.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.688 0.28 . . . . 0.0 111.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 16' ' ' LEU . 87.6 mt -49.54 -42.14 43.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.101 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -69.44 -44.01 72.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 26' ' ' SER . 75.2 t -62.88 -53.64 44.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.475 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' HB3' HG23 ' A' ' 42' ' ' THR . 86.7 m-70 -58.5 -43.68 89.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.45 -50.63 73.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.268 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.82 -45.59 93.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 67.0 mm-40 -63.17 -48.78 76.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.64 37.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 48.34 48.65 18.8 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 111.115 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 42.06 41.3 1.94 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.038 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -95.18 128.26 41.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.54 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 12' ' ' LYS . 85.2 mt -77.89 -49.63 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.507 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.16 -44.38 92.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.73 -59.41 3.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.646 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.4 m -56.39 -63.34 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.329 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.0 mt -56.0 -38.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.31 -47.55 61.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.051 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.3 tm? -69.45 -38.95 78.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 42' ' ' THR . 4.3 mm? -55.3 -45.51 76.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.86 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD12 ' NH2' ' B' ' 42' ' ' ARG . 74.4 mt -56.6 -35.39 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.095 0.474 . . . . 0.0 110.295 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.08 -31.96 72.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.812 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 . . . . . 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.72 -179.132 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.922 0.391 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.561 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.6 pm0 -71.94 146.54 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.482 HD13 HG21 ' B' ' 17' ' ' VAL . 38.1 pt -130.74 136.6 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.9 m-85 -88.04 146.8 25.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.468 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 57.9 t -146.41 77.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.289 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.0 tttt -71.73 135.31 46.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -82.11 142.05 32.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.545 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG13 ' B' ' 70' ' ' VAL . 78.5 mt -42.6 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.783 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p 48.37 66.35 1.09 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.971 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.46 -67.9 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.611 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' B' ' 11' ' ' LYS . 5.3 tmtm? -172.88 139.28 0.85 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.201 0.501 . . . . 0.0 111.542 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.93 HG22 ' HB2' ' B' ' 6' ' ' LYS . 67.2 p -81.44 124.21 29.24 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.127 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' B' ' 15' ' ' LEU . 35.5 mm -94.18 136.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.329 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.571 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -115.65 128.43 55.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.768 0.318 . . . . 0.0 111.847 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.571 HD22 ' C ' ' B' ' 14' ' ' THR . 2.9 mm? -130.81 140.87 50.31 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.07 123.46 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG22 ' B' ' 26' ' ' VAL . 22.0 m -150.37 134.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.136 0.493 . . . . 0.0 111.563 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.84 152.2 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -77.35 43.54 0.39 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.042 0.449 . . . . 0.0 110.44 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -168.58 49.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.499 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.595 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 8.1 t70 -139.66 141.97 37.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.871 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.474 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.0 t -69.39 145.94 52.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.67 -41.91 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.55 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -51.17 -44.07 61.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.595 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 15.3 t-20 -55.58 -44.75 77.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.02 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.711 HG22 HG11 ' B' ' 17' ' ' VAL . 60.5 t -60.97 -40.09 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.363 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.555 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -58.46 -42.27 87.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.511 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -64.42 -45.23 88.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.932 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -59.44 -47.36 85.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.453 HD12 HD21 ' B' ' 43' ' ' LEU . 73.5 mt -63.59 -39.71 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.21 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.07 -40.95 78.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.406 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.37 -68.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.955 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.55 -39.38 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.858 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.55 13.6 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.12 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -94.97 133.74 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.417 0.151 . . . . 0.0 110.78 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.97 137.12 68.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.063 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.63 -42.3 66.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.651 2.234 . . . . 0.0 112.549 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.62 -42.87 81.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -63.74 -48.89 75.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.682 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.613 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -64.2 136.39 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 111.274 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.688 ' NH2' HD12 ' A' ' 47' ' ' LEU . 72.0 mtp180 -134.86 81.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 5.8 mp -69.55 86.6 0.46 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.368 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 47' ' ' LEU . 68.2 mt -82.13 141.25 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.177 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.63 ' HE2' HG12 ' B' ' 61' ' ' ILE . 22.6 t80 -161.75 140.32 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.594 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.41 31.74 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.214 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 16.45 76.71 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 113.894 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.536 ' HA ' HD22 ' A' ' 47' ' ' LEU . 36.9 ttpt -173.27 144.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.564 0.682 . . . . 0.0 112.238 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 33.8 mt-30 -54.97 133.11 48.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.537 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 45' ' ' PHE . 77.4 mt -68.39 130.1 41.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 50.9 mt-10 -60.73 137.9 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.409 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 15.4 m-20 -79.94 50.35 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 23' ' ' ILE . 73.0 mtt-85 -152.4 134.68 15.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -67.6 148.67 51.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.081 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.477 HD23 HD12 ' B' ' 61' ' ' ILE . 86.6 mt -50.7 -33.26 22.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.999 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -56.69 -39.28 73.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.543 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 33.5 t70 -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.335 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.544 ' HB2' HG13 ' B' ' 61' ' ' ILE . 23.6 m-85 -75.99 -10.4 59.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.709 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.448 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 60.47 40.94 16.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 -178.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.63 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.4 mt -64.07 125.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.397 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.3 146.47 30.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -51.44 141.27 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' B' ' 2' ' ' GLN . 56.0 mt-10 61.96 40.01 12.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.03 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.48 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 91.5 m -84.83 86.14 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 7.3 mp -85.9 139.51 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.538 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.507 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 40.9 m170 -95.49 141.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 41' ' ' GLN . 65.5 tp -121.34 119.83 33.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.487 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.733 HG13 HD11 ' B' ' 8' ' ' LEU . 84.8 t -113.78 125.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.539 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.5 mp -98.45 130.22 45.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.638 0.256 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.45 -25.48 67.26 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 50.4 mt-10 -52.04 -37.25 52.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.317 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -58.52 -51.46 69.79 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.957 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.2 mttp -59.62 -37.62 79.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.318 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 17' ' ' MET . 60.0 tp -60.65 -39.89 89.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.836 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -61.17 -45.3 95.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.795 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.79 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.85 -42.76 82.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.588 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.691 ' HB3' HD13 ' A' ' 28' ' ' LEU . 82.1 mt -62.27 -45.29 93.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.587 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 63.3 mtm -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 0.0 111.223 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.1 -40.51 86.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.652 ' HE1' HD13 ' A' ' 43' ' ' ILE . 54.5 ttm -63.55 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.001 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 30.3 m-85 -124.48 71.36 57.13 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.068 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.23 -40.7 69.05 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.386 2.057 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.31 84.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.516 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.3 mt -70.94 133.34 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 111.4 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -66.55 140.42 57.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -58.48 -29.96 66.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.347 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 48.4 t -55.18 -48.61 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -62.86 -49.47 74.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 16' ' ' LEU . 86.5 mt -57.27 -38.17 73.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.819 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.94 -43.03 94.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.397 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' SER . 90.8 t -58.1 -47.68 86.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -62.68 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 9' ' ' HIS . 34.7 tp -62.49 -45.34 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.24 -48.24 79.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -60.84 -49.53 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -83.95 28.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 65.41 -71.0 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.203 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' LYS . 16.3 p-10 -177.09 32.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.184 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.77 134.15 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.96 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 12' ' ' LYS . 89.8 mt -100.46 -49.25 4.29 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -56.08 -50.08 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.6 tt -63.69 -57.06 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.623 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -54.41 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.652 HD13 ' HE1' ' A' ' 19' ' ' MET . 71.1 mt -53.81 -38.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.87 -46.59 60.36 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.488 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 tp -70.41 -37.32 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.8 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 42' ' ' THR . 4.6 mm? -59.03 -43.81 91.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.297 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.5 mt -52.86 -49.52 65.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -81.47 40.78 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.576 ' HA ' ' NZ ' ' B' ' 63' ' ' LYS . 27.4 ttt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 3.6 pm0 -151.14 151.51 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.741 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.77 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -124.97 133.98 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.414 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 3.0 m-85 -78.33 99.92 6.54 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.528 ' CG2' HD23 ' B' ' 15' ' ' LEU . 52.5 t -78.01 82.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.752 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.645 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 62.8 tttp -80.04 132.71 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.754 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -96.88 147.54 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.928 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 15' ' ' ILE . 60.5 mt -49.02 -32.65 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.707 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.5 m -62.93 -53.96 45.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.33 -38.37 0.41 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.07 135.52 31.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.946 0.403 . . . . 0.0 112.013 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 59.7 p -118.81 87.42 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.636 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.04 116.88 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.187 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.444 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -84.14 128.53 34.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' B' ' 5' ' ' VAL . 4.5 mm? -117.98 142.47 47.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.234 0.54 . . . . 0.0 111.055 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 41.6 tt0 -84.75 124.56 31.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.795 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 1.029 HG21 HG22 ' B' ' 26' ' ' VAL . 2.9 p -164.1 132.8 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.412 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.475 ' O ' HD12 ' B' ' 56' ' ' LEU . 30.3 mt-10 -87.0 147.64 25.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.899 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.625 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 41.3 t -76.62 30.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 18' ' ' GLU . 79.8 p -124.98 -29.21 3.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -61.2 -113.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.695 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.0 t -170.12 146.32 2.98 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.272 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.44 -40.12 23.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -55.51 -42.24 74.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.695 ' H ' HG23 ' B' ' 22' ' ' THR . 20.0 t-20 -62.11 -41.41 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.588 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 1.029 HG22 HG21 ' B' ' 17' ' ' VAL . 39.5 t -56.7 -49.16 79.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.004 0.431 . . . . 0.0 110.225 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 98.9 mttt -62.43 -38.56 90.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -57.82 -42.67 84.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.816 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.3 mtpm? -62.58 -41.96 99.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.594 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -58.41 -36.12 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.085 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 2.6 mm100 -64.81 -50.18 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.451 0.644 . . . . 0.0 110.525 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -56.21 -42.86 77.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.785 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.72 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.66 -41.98 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.09 44.47 44.87 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.29 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.77 134.11 21.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.336 0.112 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 87.9 Cg_exo -47.23 133.87 19.39 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.446 2.097 . . . . 0.0 112.105 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -56.83 -45.84 33.67 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 0.0 112.683 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.8 -43.41 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 53.6 tt0 -67.07 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.404 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.45 138.46 58.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.05 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -146.13 106.95 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.1 mm? -75.66 116.23 16.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 96.9 mt -103.93 142.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.105 0.479 . . . . 0.0 111.726 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.731 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.4 t80 -160.34 144.49 14.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.814 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.71 35.2 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 110.541 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.08 28.51 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.809 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.598 ' HA ' HD22 ' A' ' 47' ' ' LEU . 28.7 ttpp -173.02 138.69 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.25 0.525 . . . . 0.0 111.889 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 60.6 tt0 -58.22 127.33 31.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.725 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' B' ' 45' ' ' PHE . 45.1 mt -72.39 126.3 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.16 126.39 29.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.55 132.51 47.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.8 -35.02 3.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.471 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -67.21 -140.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -150.24 147.02 27.18 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' B' ' 61' ' ' ILE . 83.6 mt -52.98 -44.34 67.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -60.87 -36.53 79.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -53.91 -53.9 46.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.612 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.528 ' CD2' HD22 ' B' ' 50' ' ' LEU . 6.2 m-85 -80.84 23.56 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 48.48 35.42 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.214 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.1 mt -68.7 124.43 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.964 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' B' ' 65' ' ' SER . 19.2 pt20 -87.87 147.99 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 59.6 tttp -53.76 142.03 24.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.733 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.6 mt-10 61.33 37.64 16.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 86.6 p -72.72 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.656 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.545 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.7 m -161.46 126.64 3.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.047 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' B' ' 66' ' ' THR . 5.3 mp -122.86 134.91 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.645 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 47.7 m170 -89.14 104.1 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 111.465 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 41' ' ' GLN . 4.9 tt -75.98 79.91 2.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.747 HG22 HD21 ' B' ' 8' ' ' LEU . 85.8 t -78.33 133.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.52 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.4 mp -90.48 138.44 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.366 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.491 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.12 -23.52 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.6 pm0 -50.36 -37.21 35.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.638 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 44.0 t -61.68 -47.11 86.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.763 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -58.12 -37.18 74.1 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.092 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 52.2 tp -62.06 -38.86 90.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.632 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -59.69 -49.05 79.26 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.7 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.72 -37.78 61.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.729 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.8 mt -60.93 -45.6 94.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.7 mtt -57.3 -50.4 73.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.23 -31.9 68.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE3' HD13 ' A' ' 43' ' ' ILE . 59.3 tpp -63.07 -38.35 90.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.884 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 8.5 m-85 -126.09 103.43 26.71 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.36 49.87 3.35 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.767 2.312 . . . . 0.0 112.847 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.36 -44.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.592 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD13 HD12 ' A' ' 46' ' ' LEU . 68.0 mt -59.41 133.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.313 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p -62.84 141.76 58.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.249 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -58.82 -47.43 84.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.3 tttp -58.8 -46.99 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -58.61 -41.07 85.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.89 -42.14 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 96.9 t -60.59 -50.39 80.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HB3' HG23 ' A' ' 42' ' ' THR . 90.4 m-70 -59.6 -43.16 93.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 9' ' ' HIS . 55.3 tp -59.27 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.481 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.08 -46.39 89.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 57.2 mm-40 -65.38 -46.8 78.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -78.78 44.21 0.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 46.72 32.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 32' ' ' LEU . 75.8 m-20 55.81 48.19 18.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 41' ' ' LEU . 55.4 p30 -113.47 137.78 51.05 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.725 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 12' ' ' LYS . 94.6 mt -83.62 -47.84 10.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -54.88 -50.23 69.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 59.2 tp -68.41 -54.54 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 111.682 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -55.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 63.2 mt -53.29 -40.76 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.73 -45.88 60.14 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.691 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -68.87 -39.11 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.135 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.03 -35.92 67.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.959 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 ' N ' ' B' ' 49' ' ' GLN . 77.2 mt -47.23 -50.07 21.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.64 -26.87 66.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.424 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.375 -179.637 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.444 ' HG3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.943 0.401 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 70.8 mt-30 -62.34 153.86 29.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.597 HD13 HG21 ' B' ' 17' ' ' VAL . 44.0 pt -142.86 138.52 27.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.79 141.13 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.364 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -124.62 79.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.686 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.3 tttt -76.92 129.45 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.417 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -77.02 -148.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.525 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.952 HD11 HG13 ' B' ' 70' ' ' VAL . 88.8 mt -108.38 48.5 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.628 0.251 . . . . 0.0 110.848 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -160.6 -52.27 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.436 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' B' ' 12' ' ' THR . . . 171.65 -38.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.575 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.4 139.35 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.766 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' HB2' ' B' ' 6' ' ' LYS . 81.8 p -135.55 125.45 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.567 HG21 ' HE3' ' B' ' 33' ' ' LYS . 67.4 mt -106.45 123.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.478 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.0 m -90.12 142.72 27.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' B' ' 33' ' ' LYS . 8.1 mt -151.37 133.58 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 23.2 pt-20 -77.29 132.06 38.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 3' ' ' ILE . 29.1 m -147.9 133.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.058 0.456 . . . . 0.0 111.454 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 85.3 tt0 -67.34 139.81 57.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.006 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -63.56 -39.37 94.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.515 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 62.9 m -91.02 25.0 2.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 8.7 t0 -84.43 -124.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.244 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.541 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.4 t -167.56 144.22 4.28 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.421 ' CG2' ' HA ' ' B' ' 52' ' ' ASP . 38.9 mm -54.0 -47.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.052 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' HA2' ' B' ' 53' ' ' GLY . 2.7 p30 -53.69 -42.44 67.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.488 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.541 ' H ' HG23 ' B' ' 22' ' ' THR . 46.1 t30 -59.81 -45.2 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.42 -49.28 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.603 ' HE2' HD13 ' B' ' 43' ' ' LEU . 98.0 mttt -60.89 -37.24 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -62.14 -44.9 95.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -59.68 -46.92 87.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.354 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.599 ' HA ' ' NZ ' ' B' ' 33' ' ' LYS . 68.3 mt -63.37 -36.48 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.404 ' OE1' ' HG3' ' B' ' 38' ' ' PRO . 40.1 tt0 -59.96 -47.01 87.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.97 -42.12 77.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.408 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' HA ' ' B' ' 30' ' ' ILE . 6.0 ttpm? -65.84 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.911 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.83 -40.75 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.847 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 31.28 30.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.054 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -96.2 131.85 27.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.364 0.126 . . . . 0.0 110.802 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.9 Cg_endo -56.08 135.28 69.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.399 2.066 . . . . 0.0 111.927 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.8 Cg_exo -51.51 -37.88 63.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.794 2.329 . . . . 0.0 112.93 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.81 -48.43 81.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.532 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 34.3 mt-30 -69.12 -53.84 18.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.541 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.8 pt20 -63.56 143.39 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.664 HH21 HG11 ' B' ' 70' ' ' VAL . 56.6 ttp180 -150.3 125.45 10.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' B' ' 27' ' ' LYS . 6.3 mp -93.28 132.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.612 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.541 ' CD1' HD21 ' A' ' 47' ' ' LEU . 97.1 mt -131.05 140.05 49.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.806 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.854 ' HB3' HD21 ' B' ' 50' ' ' LEU . 33.9 t80 -159.89 152.86 21.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.763 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.97 31.51 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 110.3 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.16 34.61 81.41 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.634 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -172.36 143.29 1.41 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.144 0.472 . . . . 0.0 111.728 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.619 ' N ' HD22 ' A' ' 47' ' ' LEU . 37.7 tt0 -57.66 132.8 54.34 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.711 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.854 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.9 mt -83.92 127.17 33.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.67 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.432 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.421 ' HA ' ' CG2' ' B' ' 23' ' ' ILE . 2.7 p30 -71.35 147.76 47.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.795 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.535 ' HA2' ' OD2' ' B' ' 24' ' ' ASP . . . 96.97 -29.16 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 12.2 mmp_? -64.67 -145.08 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 111.198 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.1 p -150.49 146.1 26.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.227 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 61' ' ' ILE . 93.2 mt -53.36 -44.05 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.75 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -58.59 -36.21 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.342 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' B' ' 50' ' ' LEU . 2.5 m-85 -81.54 23.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 47.0 33.89 2.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 56' ' ' LEU . 75.1 mt -72.53 126.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.285 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.565 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 0.1 OUTLIER -85.35 -157.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.902 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 62.8 pttt -92.26 147.28 23.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.778 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 58.44 39.93 24.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.8 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.2 m -92.01 84.69 5.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.777 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.9 mp -86.28 140.71 29.84 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.759 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.686 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 51.3 m170 -100.73 127.74 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' B' ' 41' ' ' GLN . 55.6 tp -97.5 80.28 2.83 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.296 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.952 HG13 HD11 ' B' ' 8' ' ' LEU . 89.3 t -71.55 133.33 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.954 0.407 . . . . 0.0 111.501 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -98.75 138.1 36.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.602 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.3 tpt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.888 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.888 0.375 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -24.54 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.624 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 54.6 mt-10 -51.51 -43.43 62.26 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.2 p -58.56 -46.82 86.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.465 0.65 . . . . 0.0 109.468 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 39' ' ' LEU . 30.6 mmtp -61.51 -37.95 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.21 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 16' ' ' LEU . 65.9 tp -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.641 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -60.83 -46.67 89.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.564 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 8' ' ' LEU . 7.9 mm -57.77 -40.15 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 32' ' ' LEU . 90.5 mt -61.12 -42.3 98.29 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 83.2 mtp -60.15 -49.6 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.8 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.558 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 60.2 t0 -73.78 -32.36 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.501 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 56.7 tpp -66.16 -38.3 87.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.724 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 9.5 m-85 -129.52 67.99 79.74 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 10.4 Cg_endo -53.43 -38.48 82.95 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.474 2.116 . . . . 0.0 111.691 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.1 99.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.199 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' LYS . 63.0 mt -68.29 135.72 27.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.309 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -62.11 143.06 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.849 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.71 -40.93 76.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 30' ' ' VAL . 60.4 m -54.8 -48.66 72.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.8 tttt -59.38 -38.1 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.701 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 87.0 mt -62.88 -43.47 98.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.503 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -65.39 -42.56 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 0.0 111.009 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 26' ' ' SER . 66.1 t -59.92 -59.22 4.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.728 ' ND1' HG21 ' A' ' 42' ' ' THR . 3.9 p80 -58.77 -41.68 87.19 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 16' ' ' LEU . 56.1 tp -55.91 -43.43 77.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.3 mt -61.68 -41.61 97.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.324 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 46.9 mt-10 -56.56 -54.87 40.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.071 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -83.94 36.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 64.22 -74.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 p30 179.32 28.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.072 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.83 125.91 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.655 ' HB2' HD21 ' B' ' 8' ' ' LEU . 95.7 mt -79.17 -43.79 23.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.02 -49.38 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.65 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.15 -64.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' ND1' ' A' ' 31' ' ' HIS . 28.7 m -53.26 -58.56 6.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.074 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.549 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 58.6 mt -57.34 -42.9 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.087 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.77 -45.72 54.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.788 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -74.47 -32.63 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.235 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 42' ' ' THR . 0.7 OUTLIER -56.23 -44.47 79.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.478 -179.419 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 49' ' ' GLN . 63.7 mt -48.74 -51.19 30.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -76.03 -31.33 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 -179.613 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.526 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 20.5 pt20 -67.65 143.16 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.452 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.423 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.9 pt -138.86 138.12 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -80.1 138.35 36.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.988 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.536 HG21 HD12 ' B' ' 15' ' ' LEU . 43.4 t -132.68 77.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.056 0.455 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.6 ttpt -80.48 133.68 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -70.23 -150.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -105.78 41.86 1.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.338 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -150.15 -53.37 0.15 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.78 -40.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.716 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.2 tttp -52.66 131.35 34.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.635 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.9 m -121.12 136.05 55.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -117.13 121.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.451 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 87.8 m -88.29 142.94 27.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD12 HG21 ' B' ' 5' ' ' VAL . 7.9 mt -147.92 136.23 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 111.102 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.17 130.24 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.758 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -151.6 142.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 0.3 OUTLIER -66.32 147.04 53.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.37 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -63.44 -45.67 89.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -87.05 25.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.591 ' O ' HG22 ' B' ' 55' ' ' THR . 39.1 t70 -77.13 -126.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.6 t -174.73 140.48 0.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.678 0.275 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.559 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -52.24 -38.7 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 65.1 t0 -56.04 -47.81 77.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.463 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.665 ' H ' HG23 ' B' ' 22' ' ' THR . 15.0 t-20 -62.97 -40.47 97.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.439 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 30' ' ' ILE . 50.5 t -57.14 -48.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.597 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.61 -37.51 86.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -58.65 -44.82 90.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.413 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.473 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.6 mttt -64.4 -44.1 92.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.7 mt -60.97 -37.98 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.597 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.477 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 41.4 tt0 -64.53 -46.83 81.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.251 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.34 -43.48 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.602 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -70.86 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.83 -42.47 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.79 45.62 5.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.922 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 71' ' ' LEU . 68.8 mt -124.53 133.95 25.17 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.456 0.169 . . . . 0.0 110.79 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 50.6 Cg_exo -54.31 134.61 61.79 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.438 2.092 . . . . 0.0 112.343 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 37.2 Cg_endo -65.41 -40.54 18.36 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.659 2.24 . . . . 0.0 112.528 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -57.34 -39.58 76.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 64.6 tt0 -74.39 -52.96 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.387 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' B' ' 71' ' ' LEU . 21.4 pt20 -69.67 132.52 46.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.949 0.404 . . . . 0.0 111.427 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' B' ' 42' ' ' ARG . 8.3 mmp_? -111.52 112.71 24.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.926 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 67' ' ' LEU . 52.3 tp -83.84 82.6 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.417 HG12 HD21 ' A' ' 47' ' ' LEU . 83.1 mt -82.09 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 112.029 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.7 t80 -161.93 138.21 7.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.35 34.9 23.02 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 58.64 32.14 68.72 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.962 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' B' ' 48' ' ' LYS . 26.5 mmmt -154.5 138.07 16.0 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.676 0.274 . . . . 0.0 110.857 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -69.13 124.52 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.258 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -69.23 125.21 25.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.599 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -82.07 140.36 33.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.437 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 1.5 m-20 -66.62 141.76 57.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 101.46 -37.25 3.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.954 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.559 ' O ' HG12 ' B' ' 23' ' ' ILE . 47.8 mmt-85 -70.21 130.13 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 111.535 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.591 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.3 p -71.26 154.84 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.725 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 61' ' ' ILE . 88.9 mt -52.1 -38.67 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -54.88 -36.8 65.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.837 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -54.57 -56.01 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.538 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' B' ' 61' ' ' ILE . 30.5 m-85 -79.9 16.92 1.04 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.695 0.283 . . . . 0.0 110.935 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.7 t30 48.89 36.51 8.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.524 HG12 ' CE2' ' B' ' 45' ' ' PHE . 62.0 mt -71.09 123.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -80.95 -141.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -111.37 143.74 41.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.631 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.526 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 49.7 mt-10 59.23 33.43 22.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.699 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -73.15 139.78 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.609 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 82.7 m -80.21 128.3 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' B' ' 43' ' ' LEU . 98.9 mt -120.59 128.71 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.158 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.579 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 45.2 m170 -93.02 135.6 34.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 111.949 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.3 tt -115.32 131.37 56.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.683 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.879 HG13 HD22 ' B' ' 8' ' ' LEU . 58.5 t -137.99 118.86 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 41' ' ' GLN . 94.3 mt -76.2 138.78 40.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 77.0 mtp180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.653 0.263 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -24.89 67.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.195 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -51.43 -38.27 52.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.607 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -58.39 -48.02 81.99 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.79 ' HB3' HD21 ' A' ' 39' ' ' LEU . 58.8 mttp -61.69 -39.62 92.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.439 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.8 tp -58.49 -40.25 82.26 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.488 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.52 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 54.0 m -59.9 -45.2 93.3 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.294 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.896 HG21 HD12 ' B' ' 8' ' ' LEU . 28.0 mm -52.71 -46.07 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.5 mt -61.79 -38.25 87.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.818 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 59.7 mtt -53.25 -51.76 61.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.279 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 38.9 t70 -82.26 -26.58 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.964 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 48.6 tpp -63.01 -36.1 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 33.8 m-85 -137.99 71.79 48.19 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 53.2 Cg_exo -52.34 -37.49 71.61 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.689 2.259 . . . . 0.0 112.497 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.08 32.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.684 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 20' ' ' PHE . 70.8 mt -148.67 133.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.722 0.296 . . . . 0.0 110.829 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -60.93 139.56 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -59.48 -38.14 80.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.9 p -54.18 -46.26 72.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.96 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.66 -47.09 87.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 16' ' ' LEU . 87.8 mt -58.01 -38.36 76.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.589 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 66.0 tt0 -62.91 -43.15 99.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.329 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' SER . 66.2 t -59.15 -51.75 68.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -59.92 -41.85 92.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -47.11 86.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -60.88 -46.38 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.743 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.5 -45.83 91.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.001 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' OD1' HD22 ' A' ' 41' ' ' LEU . 75.8 m-20 -79.66 35.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.45 39.17 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.755 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 56.66 41.63 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -104.76 129.85 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 12' ' ' LYS . 71.6 mt -79.01 -44.84 21.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.699 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -55.1 -48.55 73.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.659 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 45' ' ' LEU . 4.0 tt -69.82 -59.03 3.19 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 111.027 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.8 m -51.33 -60.48 3.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.4 mt -59.43 -36.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.08 -51.65 34.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD13 HD23 ' A' ' 41' ' ' LEU . 7.4 mp -73.3 -39.6 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.641 0.258 . . . . 0.0 111.05 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 42' ' ' THR . 3.8 mm? -51.56 -43.19 62.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.63 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.0 mt -60.97 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.701 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -87.2 34.55 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.364 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 0.0 111.083 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 24.2 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.919 0.39 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 5.3 mp0 -114.41 138.11 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.711 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.8 pt -129.91 137.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.0 m-85 -77.22 137.94 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.588 ' CG2' HD23 ' B' ' 15' ' ' LEU . 42.5 t -137.1 78.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 37.7 ttpt -79.97 137.22 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.732 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -80.65 163.57 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.918 HD22 HG13 ' B' ' 70' ' ' VAL . 20.6 tp -77.26 52.9 0.96 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -158.01 -55.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.58 58.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.074 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -161.57 115.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.8 m -93.12 134.97 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.475 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' B' ' 15' ' ' LEU . 65.8 mt -120.77 124.36 72.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.657 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 36.3 m -86.85 115.8 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.862 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.588 HD23 ' CG2' ' B' ' 5' ' ' VAL . 3.7 mm? -113.65 131.59 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -81.51 137.37 35.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 1' ' ' MET . 7.8 p -177.23 131.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' B' ' 21' ' ' ASP . 7.3 pm0 -68.53 149.02 49.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.737 ' HA ' HD12 ' B' ' 56' ' ' LEU . 50.8 m -58.75 -42.47 88.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.4 t -80.26 35.61 0.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.474 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.64 ' HB2' ' HG2' ' B' ' 18' ' ' GLU . 9.9 t0 -99.65 -122.15 0.15 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 6.3 t -172.55 140.74 1.07 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.717 0.294 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.692 HD12 HD13 ' B' ' 50' ' ' LEU . 45.6 mm -51.41 -38.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.401 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -51.2 -42.27 60.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.45 -41.61 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.329 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.481 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.5 t -56.88 -48.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.295 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.2 mptm? -61.94 -36.58 81.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -61.83 -50.02 73.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.99 -45.92 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.2 mt -60.0 -39.56 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.673 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.21 -45.24 89.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.721 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.77 -45.2 68.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.631 ' NZ ' ' HB2' ' B' ' 33' ' ' LYS . 4.7 ttmp? -64.88 -61.62 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -72.01 -39.0 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.748 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.83 29.4 47.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.116 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.9 mt -87.93 133.93 36.36 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.04 134.38 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.297 1.998 . . . . 0.0 112.083 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.13 -45.41 35.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.386 2.058 . . . . 0.0 111.707 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -83.29 40.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.473 ' O ' HD12 ' B' ' 71' ' ' LEU . 14.6 tt0 -162.19 35.23 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 110.693 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.37 146.35 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -144.0 122.57 12.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.368 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.4 mm? -83.71 123.65 30.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.333 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 47' ' ' LEU . 60.3 mt -111.91 144.25 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.683 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.2 t80 -155.27 141.91 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.689 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.81 -64.48 0.35 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 110.55 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.65 24.08 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.018 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 47' ' ' LEU . 39.1 ttpt -173.42 156.04 2.96 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 16.9 pt20 -59.57 138.14 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.692 HD13 HD12 ' B' ' 23' ' ' ILE . 96.2 mt -70.03 133.09 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 49.3 mt-10 -68.52 133.83 49.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.03 50.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.484 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.85 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.425 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.604 ' O ' HG12 ' B' ' 23' ' ' ILE . 39.4 mmt180 -150.91 135.08 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 21' ' ' ASP . 74.5 p -63.78 156.03 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.3 mt -53.41 -38.8 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 85.8 p -56.62 -28.35 60.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.491 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.3 -56.56 12.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -82.46 30.96 0.4 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 0.0 111.065 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 49.88 34.67 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.495 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.441 HG23 ' OG ' ' B' ' 65' ' ' SER . 68.7 mt -73.54 118.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.36 -67.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 111.195 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 0.2 OUTLIER 179.2 148.64 0.24 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.595 ' OE1' ' HG3' ' B' ' 63' ' ' LYS . 3.9 mp0 58.67 35.94 24.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.441 ' OG ' HG23 ' B' ' 61' ' ' ILE . 53.6 m -77.9 137.15 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.892 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 62.4 m -79.98 129.99 34.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 50' ' ' LEU . 85.5 mt -122.27 126.59 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.777 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -92.55 131.0 38.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.881 0.372 . . . . 0.0 111.922 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.496 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -109.03 106.7 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.205 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.918 HG13 HD22 ' B' ' 8' ' ' LEU . 78.2 t -92.63 122.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 40' ' ' GLN . 57.1 tp -81.75 130.58 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.887 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.499 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.149 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -22.89 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.637 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.3 -39.39 45.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.332 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -63.64 -43.49 96.63 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.7 mmtt -62.4 -36.45 82.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.151 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.4 tp -60.74 -40.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.001 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -59.4 -42.93 92.9 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.774 HG21 HD22 ' B' ' 8' ' ' LEU . 37.0 mm -53.64 -46.51 61.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 28' ' ' LEU . 94.2 mt -60.67 -37.21 80.84 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.56 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 84.7 mtp -55.9 -51.72 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 37.8 t70 -81.8 -26.13 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 46.0 tpp -65.45 -37.96 88.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 6.3 m-85 -136.88 69.53 58.09 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.018 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 8.0 Cg_endo -50.5 -40.79 54.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.734 2.289 . . . . 0.0 112.28 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.68 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.475 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.712 HG23 ' HD3' ' A' ' 27' ' ' LYS . 68.7 mt -66.38 139.45 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -63.47 145.22 56.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.273 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -59.01 -47.08 86.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 30' ' ' VAL . 56.6 m -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 23' ' ' ILE . 60.7 tttm -58.94 -44.56 91.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 16' ' ' LEU . 93.6 mt -59.81 -42.82 94.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.877 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 53.7 tt0 -61.01 -42.46 98.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.701 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 98.2 t -59.29 -52.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.2 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -57.22 -48.09 79.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 37' ' ' ASN . 60.7 tp -54.39 -43.7 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 37' ' ' ASN . 96.0 mt -67.25 -34.55 77.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.798 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 49.3 mt-10 -55.81 -56.74 16.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 2.9 m120 -61.92 -71.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.342 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 167.76 42.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 72.6 m-20 57.45 40.79 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.83 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -121.83 133.28 54.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 43' ' ' ILE . 92.6 mt -72.51 -40.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.777 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.6 -50.62 67.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.5 mp -74.17 -55.08 6.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 76.8 m -55.01 -54.87 37.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.455 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.704 HD11 HD22 ' A' ' 39' ' ' LEU . 58.7 mt -68.29 -38.71 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.73 -50.74 30.67 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.192 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 41' ' ' LEU . 7.8 mp -77.72 -30.98 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.712 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -57.34 -45.26 84.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.702 -179.187 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' HA ' ' B' ' 48' ' ' LYS . 69.1 mt -54.97 -47.06 75.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.907 0.384 . . . . 0.0 111.133 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.65 -42.19 87.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.525 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' B' ' 16' ' ' GLU . 11.0 mm100 -114.62 155.6 26.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -141.67 126.14 16.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 1.5 m-85 -98.06 95.47 7.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.828 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' B' ' 69' ' ' LEU . 25.5 t -78.75 77.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.652 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 1.7 tmtp? -79.03 123.8 27.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.91 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -73.1 151.38 41.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 15' ' ' ILE . 86.1 mt -48.04 87.59 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.495 ' OG1' HD11 ' A' ' 15' ' ' ILE . 33.1 m 58.97 69.65 0.71 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.33 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 -113.02 0.29 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.349 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.561 ' HE3' HG12 ' B' ' 13' ' ' ILE . 55.3 tttp -90.14 130.97 36.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 57.6 m -99.94 107.38 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.561 HG12 ' HE3' ' B' ' 11' ' ' LYS . 59.5 mt -90.11 98.65 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.48 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.5 m -79.12 142.18 36.64 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' C ' ' B' ' 14' ' ' THR . 11.4 mt -149.95 141.0 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.452 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' B' ' 2' ' ' GLN . 38.9 tt0 -90.14 133.69 34.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.8 m -152.71 134.46 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.007 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.63 146.51 54.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -77.68 42.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.71 38.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.016 0.436 . . . . 0.0 110.749 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.52 ' O ' HG22 ' B' ' 55' ' ' THR . 64.4 m-20 -108.03 -120.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.678 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.652 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.7 t -166.57 143.74 4.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 50' ' ' LEU . 45.6 mm -52.31 -43.25 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.94 -40.48 66.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.652 ' H ' HG23 ' B' ' 22' ' ' THR . 23.3 t-20 -60.28 -41.61 93.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.76 -48.97 86.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HD2' ' OD2' ' B' ' 52' ' ' ASP . 99.3 mttt -60.89 -42.47 98.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.8 p -59.39 -43.26 92.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 28.9 mtpp -60.12 -43.31 95.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.152 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.469 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 69.5 mt -62.18 -39.47 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 17.7 tt0 -62.29 -49.29 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.69 -45.72 85.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.79 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.28 -62.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 30' ' ' ILE . 7.7 mp0 -71.24 -42.18 69.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.06 49.36 3.8 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.174 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -133.75 134.46 23.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.554 0.216 . . . . 0.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.4 Cg_exo -54.65 138.06 74.85 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.622 2.214 . . . . 0.0 112.625 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.55 -40.22 68.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.85 2.367 . . . . 0.0 112.717 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.92 -46.85 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.299 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -64.34 -50.57 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' B' ' 69' ' ' LEU . 19.3 pt20 -70.66 140.34 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -130.45 124.47 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 92.3 mt -96.78 83.07 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.779 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.642 HD13 HD21 ' A' ' 47' ' ' LEU . 63.8 mt -81.74 142.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.541 ' HE2' HG12 ' B' ' 61' ' ' ILE . 20.1 t80 -162.75 142.84 9.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.89 -30.64 0.21 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.713 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 163.16 -14.15 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.311 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.919 ' HA ' HD22 ' A' ' 47' ' ' LEU . 23.6 pttm -164.26 163.21 22.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.894 0.378 . . . . 0.0 111.377 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 3.4 tm0? -52.6 135.48 34.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.466 ' O ' HG13 ' B' ' 23' ' ' ILE . 87.1 mt -75.45 44.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 51.67 -166.59 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' HD2' ' B' ' 27' ' ' LYS . 9.7 t0 -145.4 52.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.067 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.25 48.8 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -141.11 -144.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.464 0.173 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.52 HG22 ' O ' ' B' ' 21' ' ' ASP . 73.0 p -150.49 147.21 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 61' ' ' ILE . 98.2 mt -53.7 -41.01 66.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -62.91 -34.59 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.348 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.33 -50.57 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.268 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.554 ' HB2' HG13 ' B' ' 61' ' ' ILE . 18.0 m-85 -79.35 19.8 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 46.5 37.34 4.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.4 mt -67.71 128.91 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 46.7 tt0 -66.86 -114.9 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.157 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 19.4 ptpt -154.55 153.91 32.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.529 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 11.7 pt-20 46.83 32.9 1.94 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.167 0.508 . . . . 0.0 110.703 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -75.71 137.26 40.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.828 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.559 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.9 m -83.2 100.86 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.61 135.82 33.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 43.0 m170 -86.32 134.29 33.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.009 0.433 . . . . 0.0 111.968 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' B' ' 41' ' ' GLN . 59.3 tp -109.16 133.85 52.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.078 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.58 HG13 HD11 ' B' ' 8' ' ' LEU . 47.8 t -135.37 124.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.931 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 40' ' ' GLN . 47.9 tp -94.81 130.51 41.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.098 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 74.9 mtt-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.396 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 121.022 0.439 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.91 -23.85 60.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.5 -39.0 47.3 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.183 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -58.43 -48.06 81.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.391 0.615 . . . . 0.0 109.397 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.1 mttm -62.11 -39.17 91.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.425 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.3 tp -59.15 -39.27 81.92 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.475 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.423 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 46.8 t -60.65 -44.56 96.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.21 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.031 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 mm -56.17 -40.67 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.1 mt -61.7 -41.2 97.27 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.466 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.533 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 mtp -54.93 -53.78 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.5 -31.25 62.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.67 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.509 ' SD ' HG21 ' B' ' 44' ' ' ILE . 59.8 tpp -56.75 -38.54 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 4.3 m-85 -130.48 110.71 16.33 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.76 57.11 5.92 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.826 2.351 . . . . 0.0 112.382 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 -46.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.909 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.746 HG23 ' HD3' ' A' ' 27' ' ' LYS . 4.3 mp -74.44 132.04 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.96 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.7 m -68.82 154.38 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 55.6 mtpt -55.77 -39.52 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 m -58.13 -49.62 76.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.746 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.5 tttt -60.61 -50.34 73.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 16' ' ' LEU . 95.9 mt -56.82 -40.62 76.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.71 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.9 tt0 -58.99 -45.45 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.969 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 26' ' ' SER . 98.4 t -58.31 -44.58 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.3 m-70 -59.67 -46.2 89.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.291 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -63.16 -43.51 98.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.036 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.9 mt -58.08 -45.37 87.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 59.9 mm-40 -64.45 -45.48 87.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.644 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.36 28.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 5.4 m120 63.12 -72.62 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.927 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER 178.09 72.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -153.8 127.98 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 12' ' ' LYS . 92.8 mt -77.69 -39.86 43.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.429 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.9 -45.78 74.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.31 -61.23 1.93 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 111.01 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 46' ' ' LEU . 63.0 m -51.86 -62.94 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.175 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.484 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 64.9 mt -55.69 -39.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.62 -45.11 47.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.457 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.4 tt -69.97 -40.12 75.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.343 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.32 -49.55 74.0 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.795 HD13 ' HB3' ' B' ' 49' ' ' GLN . 74.2 mt -53.96 -49.49 68.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.905 0.383 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -82.92 43.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.459 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.074 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' B' ' 19' ' ' SER . 27.4 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.888 0.375 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.483 HE22 ' HE1' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -145.94 -179.02 6.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.378 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.614 HD11 HG21 ' B' ' 17' ' ' VAL . 7.0 pt -146.19 137.1 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.662 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.561 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.7 m-85 -77.9 143.24 37.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.37 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.549 HG21 HD12 ' B' ' 15' ' ' LEU . 61.9 t -133.17 80.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.352 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 65.1 tttp -78.29 121.74 24.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.842 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -73.77 149.02 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.482 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -51.58 -39.69 58.37 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.339 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -74.16 -59.93 2.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 103.16 0.18 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.912 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' B' ' 11' ' ' LYS . 4.9 ttmp? 177.67 117.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.617 0.246 . . . . 0.0 110.684 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -90.06 76.51 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.383 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.483 HG13 ' HG2' ' B' ' 11' ' ' LYS . 61.9 mt -75.91 112.68 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 82.4 m -92.89 142.29 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.624 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG21 ' B' ' 5' ' ' VAL . 12.3 mt -141.69 142.82 33.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.837 0.351 . . . . 0.0 111.261 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.88 124.85 26.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.885 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.614 HG21 HD11 ' B' ' 3' ' ' ILE . 40.9 t -150.32 129.86 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.426 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' B' ' 20' ' ' SER . 42.0 mm-40 -72.6 160.72 31.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.065 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 71.5 p -76.09 27.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.458 ' H ' ' C ' ' B' ' 18' ' ' GLU . 87.6 p -165.1 28.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 38.8 t70 -76.09 -121.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.217 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.481 HG23 ' H ' ' B' ' 25' ' ' ASN . 3.4 t -173.77 138.71 0.66 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.252 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.609 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.5 mm -54.66 -41.5 56.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.668 ' H ' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -53.7 -44.78 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.481 ' H ' HG23 ' B' ' 22' ' ' THR . 22.7 t-20 -58.25 -42.67 86.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -55.99 -47.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.298 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.56 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 63.4 mttp -61.36 -36.45 80.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 m -59.87 -51.17 70.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.39 -46.74 88.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.835 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.29 -37.89 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -46.03 91.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.297 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -67.51 -47.17 70.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.793 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.84 -61.59 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.07 -41.62 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.894 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.53 3.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.386 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -132.43 132.88 23.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.467 0.175 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 10.0 Cg_endo -53.15 138.73 63.22 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.608 2.205 . . . . 0.0 112.112 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.38 -44.55 48.43 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.767 2.311 . . . . 0.0 112.404 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.86 -40.71 93.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' B' ' 72' ' ' ARG . 11.5 tp-100 -64.15 -50.6 67.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.188 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.88 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -74.49 138.83 43.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.621 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.591 HH21 ' HG2' ' B' ' 72' ' ' ARG . 12.7 ptp180 -130.49 128.24 40.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 83.6 mt -90.33 138.26 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.509 HG21 ' SD ' ' A' ' 19' ' ' MET . 91.6 mt -127.06 138.94 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.209 0.528 . . . . 0.0 111.311 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 23.8 t80 -163.76 140.87 7.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.389 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 34.01 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 59.38 32.22 72.06 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.905 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' B' ' 47' ' ' GLY . 26.7 mmmt -153.85 138.56 17.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.594 0.235 . . . . 0.0 110.794 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.795 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -66.22 125.89 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.407 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' ' 45' ' ' PHE . 64.7 mt -78.18 128.09 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -78.2 136.32 37.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.341 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 50.2 p-10 -64.34 150.88 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.668 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 86.65 -32.11 4.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.727 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.609 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.4 mmt-85 -65.17 134.2 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.491 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -72.22 150.22 43.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.57 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 72.2 mt -54.36 -38.33 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -54.45 -34.98 62.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.804 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -53.33 -53.87 44.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -85.25 28.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.94 39.18 13.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.3 mt -73.53 121.7 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -80.18 -69.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.59 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -177.94 152.16 0.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.205 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . 16.8 pt-20 44.72 37.54 2.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -69.32 143.99 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 89.8 m -86.59 123.57 31.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.483 HD12 ' C ' ' B' ' 66' ' ' THR . 6.8 mp -119.24 131.84 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.295 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.631 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -93.9 127.21 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.002 0.43 . . . . 0.0 112.121 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' B' ' 41' ' ' GLN . 60.3 tp -94.11 136.99 33.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.851 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.726 HG22 HD13 ' B' ' 8' ' ' LEU . 87.5 t -142.1 144.95 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.884 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.27 141.73 38.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.228 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.65 0.262 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.77 -23.42 58.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -50.25 -35.95 29.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 14' ' ' SER . 67.6 m -59.82 -49.84 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.75 ' HB3' HD21 ' A' ' 39' ' ' LEU . 46.1 mmtm -56.16 -42.46 77.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.113 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 17' ' ' MET . 53.6 tp -60.73 -35.99 77.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.771 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -58.89 -48.76 80.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.499 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.701 HG13 ' NZ ' ' B' ' 6' ' ' LYS . 2.1 mp -57.53 -40.62 75.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.1 mt -60.5 -45.62 93.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 81.9 mtp -55.95 -51.45 67.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -71.72 -30.46 65.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.968 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 60.0 tpp -60.75 -45.77 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.918 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.707 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 10.5 m-85 -116.87 106.41 47.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.652 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.26 50.11 3.43 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.702 2.268 . . . . 0.0 112.596 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.92 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.4 mt -62.59 132.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -63.16 140.04 58.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -56.34 -39.97 73.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.4 t -58.71 -45.9 88.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.4 tttm -59.19 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.638 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.1 mt -56.84 -41.52 78.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.717 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -61.44 -42.7 99.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 26' ' ' SER . 92.5 t -58.01 -47.74 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' HB3' HG23 ' A' ' 42' ' ' THR . 93.5 m-70 -61.17 -40.07 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 9' ' ' HIS . 30.3 tp -62.66 -42.97 99.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.17 -47.29 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.582 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.67 -50.85 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.356 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -85.12 32.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 64.9 -71.89 0.07 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.332 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' OD1' HD11 ' A' ' 32' ' ' LEU . 49.2 t30 -179.09 33.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 12' ' ' LYS . 98.9 mt -88.84 -45.13 9.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.839 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.63 -48.03 82.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.4 tt -65.56 -56.95 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 0.0 111.033 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.633 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 94.3 m -55.74 -60.63 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.707 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.3 mt -58.84 -39.12 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.45 -48.91 53.83 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.4 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 45' ' ' LEU . 7.5 tt -69.09 -40.76 78.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 42' ' ' THR . 87.4 mt -55.92 -36.94 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.202 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 90.0 mt -52.37 -43.64 64.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 1.7 mmmp? -81.36 41.22 0.6 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.452 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 -179.512 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.554 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.1 pt20 -137.56 137.71 38.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.736 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -116.82 140.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.099 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.52 142.97 32.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.8 t -127.07 78.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.177 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.701 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 49.6 tttm -69.29 126.58 30.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -91.81 150.04 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.74 HD11 HG13 ' B' ' 70' ' ' VAL . 96.2 mt -47.93 -38.7 17.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 110.542 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -63.1 -57.65 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.4 63.14 0.01 OUTLIER Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.259 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.622 ' NZ ' HG12 ' B' ' 13' ' ' ILE . 61.0 tttm -155.78 118.71 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.047 0.424 . . . . 0.0 111.28 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.578 HG22 ' HB2' ' B' ' 6' ' ' LYS . 76.8 p -91.57 78.19 5.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.648 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.622 HG12 ' NZ ' ' B' ' 11' ' ' LYS . 57.3 mt -61.02 121.6 9.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.773 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.656 ' C ' HD22 ' B' ' 15' ' ' LEU . 78.8 m -90.91 133.16 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.573 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.656 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.21 149.41 52.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.471 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 89.1 tt0 -93.52 126.51 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.933 HG11 HG22 ' B' ' 26' ' ' VAL . 31.4 m -152.12 137.8 11.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.943 0.401 . . . . 0.0 111.368 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.513 ' HG3' ' H ' ' B' ' 20' ' ' SER . 5.4 tp10 -66.61 146.61 54.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.5 m -55.24 -40.48 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.662 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.513 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 54.9 m -97.84 35.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' O ' HG22 ' B' ' 55' ' ' THR . 54.7 t0 -83.45 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.555 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.66 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -172.94 143.51 1.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.7 mm -52.88 -38.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.56 -44.35 76.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.66 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -60.59 -43.17 97.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.933 HG22 HG11 ' B' ' 17' ' ' VAL . 55.8 t -59.2 -46.01 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -61.87 -46.14 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.2 mtpp -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.17 -34.63 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.063 0.459 . . . . 0.0 110.419 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 60.8 tt0 -60.84 -49.63 76.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.55 -41.9 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.486 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.02 -60.74 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.934 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.456 ' OE2' HD13 ' B' ' 13' ' ' ILE . 62.6 mm-40 -79.81 -40.54 28.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.875 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.72 44.95 3.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD21 ' B' ' 71' ' ' LEU . 65.3 mt -121.16 133.85 24.28 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.437 0.16 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 69.7 Cg_exo -50.85 137.8 42.72 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 0.0 112.055 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 18.9 Cg_endo -59.42 -45.1 28.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.592 2.195 . . . . 0.0 112.511 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.77 -44.12 97.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.516 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 16.5 tt0 -61.43 -55.51 30.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.86 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -67.57 143.69 55.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.507 ' HA ' HE22 ' B' ' 49' ' ' GLN . 85.4 mtm180 -137.5 124.49 21.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.53 88.02 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 47' ' ' LEU . 89.4 mt -81.6 141.43 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.253 0.549 . . . . 0.0 111.515 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.746 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.2 t80 -165.14 151.61 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.542 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.72 19.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.334 0.588 . . . . 0.0 109.97 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.23 30.83 76.02 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 113.633 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -173.11 146.11 1.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.206 0.503 . . . . 0.0 111.945 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' B' ' 42' ' ' ARG . 3.4 tp60 -54.56 127.32 27.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.032 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' B' ' 45' ' ' PHE . 79.1 mt -76.3 132.02 39.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 93.9 mt-10 -69.56 131.07 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.51 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.41 -41.57 94.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.988 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.79 50.75 4.32 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.745 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HA ' ' HE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -149.4 133.07 16.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 21' ' ' ASP . 64.8 p -74.56 155.02 38.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.28 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 61' ' ' ILE . 95.0 mt -52.96 -41.01 64.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.2 m -56.48 -33.35 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.632 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -51.83 -56.17 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.603 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.473 ' HB2' HG13 ' B' ' 61' ' ' ILE . 31.1 m-85 -85.53 25.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 48.14 35.92 5.93 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.5 mt -69.1 129.57 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.464 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.88 155.82 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.407 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -48.9 147.76 2.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.554 ' OE1' ' HG3' ' B' ' 2' ' ' GLN . 4.4 mm-40 64.97 38.21 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.23 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -70.03 137.73 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.37 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 46.3 m -85.84 74.6 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.92 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.9 mt -85.22 127.8 34.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.58 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 44.7 m170 -94.96 130.63 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 111.796 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' B' ' 41' ' ' GLN . 62.4 tp -100.75 135.67 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.83 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.74 HG13 HD11 ' B' ' 8' ' ' LEU . 92.5 t -140.61 127.46 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.052 0.453 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.547 HD21 HD13 ' B' ' 36' ' ' ILE . 85.5 mt -78.96 144.76 34.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.323 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 52.1 ttp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.635 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.12 -23.35 51.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.465 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 16.3 pt-20 -50.18 -40.02 45.64 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.815 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 15' ' ' ILE . 62.1 m -61.96 -47.65 83.92 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.8 mmtt -57.97 -35.23 70.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.259 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 49.5 tp -63.39 -43.1 98.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.3 p -60.11 -46.67 88.84 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.684 HG21 HD12 ' B' ' 8' ' ' LEU . 1.7 mp -56.39 -40.2 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.84 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.9 mt -61.7 -41.71 97.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.817 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.0 mtt -57.64 -51.29 70.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -71.08 -33.63 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.7 tpp -60.79 -42.6 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.983 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 18.2 m-85 -122.96 99.98 40.63 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.31 49.98 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.771 2.314 . . . . 0.0 112.732 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.19 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.677 0.275 . . . . 0.0 111.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.0 mt -59.07 134.19 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.252 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.3 p -61.19 140.47 57.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.43 -41.93 77.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 t -57.02 -45.32 83.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.9 tttt -59.62 -50.29 74.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.9 mt -56.89 -39.24 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.1 tt0 -64.11 -42.2 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.683 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 26' ' ' SER . 85.4 t -59.54 -50.72 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.8 m-70 -60.66 -43.34 97.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 110.76 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 9' ' ' HIS . 37.7 tp -60.01 -41.43 92.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.061 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 94.9 mt -65.17 -46.3 81.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.536 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.12 -54.13 49.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.556 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.535 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 75.5 m-80 -82.7 35.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.29 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 63.29 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.486 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 44.2 p30 -178.95 34.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.535 ' OD2' ' HB3' ' A' ' 35' ' ' ASN . 2.3 p30 -90.94 134.3 34.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.989 0.423 . . . . 0.0 111.132 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 12' ' ' LYS . 93.6 mt -92.35 -42.66 9.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.443 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 65.4 tp -69.73 -54.75 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 90.1 m -56.49 -56.9 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.408 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.558 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 65.7 mt -60.77 -41.94 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.53 -46.21 53.3 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.915 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.3 -38.48 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.8 mt -61.89 -41.76 98.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.865 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.3 mt -54.14 -43.15 70.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.917 0.389 . . . . 0.0 110.658 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -65.6 -32.87 74.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.221 -179.724 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 25.7 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -87.15 143.46 27.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 3' ' ' ILE . 49.3 pt -137.66 132.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 111.041 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.598 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -82.05 144.87 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 43.5 t -131.96 78.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.369 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 88.8 tttt -66.38 120.24 12.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -74.32 148.3 41.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.038 HD22 HG13 ' B' ' 70' ' ' VAL . 33.9 tp -46.96 -34.35 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.349 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.0 p -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.91 -42.9 0.32 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.205 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.87 125.97 20.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.779 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 32.4 p -98.2 132.53 43.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -112.72 125.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.507 ' C ' HD22 ' B' ' 15' ' ' LEU . 90.1 m -94.14 129.48 40.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.295 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.661 HD12 ' HZ2' ' B' ' 29' ' ' LYS . 3.9 mm? -121.75 139.98 52.9 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 88.7 tt0 -89.35 122.47 32.61 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.561 HG11 HG22 ' B' ' 26' ' ' VAL . 2.2 p -167.5 129.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.369 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.608 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 80.7 mt-10 -76.46 143.94 40.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.711 ' HA ' HD12 ' B' ' 56' ' ' LEU . 44.4 t -58.93 -21.34 57.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.055 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -72.46 -28.72 63.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.939 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.608 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.2 m-20 -59.89 -121.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.632 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.8 t -167.4 149.04 5.71 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 0.0 111.576 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.9 mm -54.27 -42.44 57.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.52 ' H ' ' H ' ' B' ' 53' ' ' GLY . 33.7 t70 -55.2 -41.47 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.622 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.632 ' H ' HG23 ' B' ' 22' ' ' THR . 23.8 t-20 -61.0 -43.13 99.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.388 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.561 HG22 HG11 ' B' ' 17' ' ' VAL . 84.9 t -57.75 -52.14 61.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.535 ' HG2' HD13 ' B' ' 43' ' ' LEU . 94.2 mttt -58.64 -36.91 74.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.272 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 50.6 m -61.71 -44.27 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.661 ' HZ2' HD12 ' B' ' 15' ' ' LEU . 7.3 mtpm? -59.09 -44.39 91.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.727 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.425 ' CD1' HD21 ' B' ' 43' ' ' LEU . 66.9 mt -64.15 -33.88 65.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.258 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' B' ' 28' ' ' SER . 15.4 tt0 -61.78 -47.43 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.67 -43.03 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.624 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.0 -63.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.954 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.15 -38.0 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.07 8.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.982 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.458 HD13 HD13 ' B' ' 71' ' ' LEU . 70.5 mt -117.36 135.64 23.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.181 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 75.5 Cg_exo -50.67 140.4 37.08 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.484 2.123 . . . . 0.0 112.409 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 49.1 Cg_exo -55.83 -42.05 71.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.637 2.225 . . . . 0.0 112.607 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.36 -41.96 84.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 16.8 tt0 -60.32 -52.16 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.756 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -86.46 145.95 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 110.76 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -144.3 125.76 14.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.535 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.6 mp -88.18 114.21 24.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.901 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 88.2 mt -101.14 142.97 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HB3' HD21 ' B' ' 50' ' ' LEU . 21.6 t80 -160.24 144.54 14.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.064 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.69 35.02 24.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.151 0.501 . . . . 0.0 110.439 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 29.88 71.38 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.547 -0.752 . . . . 0.0 113.505 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -172.74 137.35 0.77 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.962 0.41 . . . . 0.0 111.778 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.661 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 63.5 tt0 -58.09 126.45 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.297 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' B' ' 45' ' ' PHE . 73.4 mt -70.36 126.6 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.41 126.64 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.7 p30 -71.78 146.37 48.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.832 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.52 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 108.47 -34.16 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.23 -143.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.307 . . . . 0.0 111.075 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 54.5 p -151.36 145.17 25.1 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.0 mt -55.46 -36.29 66.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.609 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.34 -40.54 94.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.195 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.23 -56.44 21.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 12.3 m-85 -68.81 -11.21 60.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 62.08 38.34 14.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.587 HD12 HD23 ' B' ' 56' ' ' LEU . 75.6 mt -66.73 125.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -67.17 159.19 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.591 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -67.36 136.09 54.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 62.05 41.72 10.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.638 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.8 m -76.9 143.82 39.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 68.5 m -83.53 86.17 7.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.369 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 8.9 mp -86.01 126.87 34.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.782 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 10.2 m-70 -77.08 156.38 31.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.517 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 41' ' ' GLN . 44.9 tp -143.1 91.21 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.038 HG13 HD22 ' B' ' 8' ' ' LEU . 88.7 t -75.75 135.53 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.32 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.458 HD13 HD13 ' B' ' 36' ' ' ILE . 44.1 tp -101.18 126.16 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.899 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 79.5 ttt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.643 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.569 0.223 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -26.2 60.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.65 -38.97 61.33 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.09 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' SER . 25.8 m -59.4 -50.62 73.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.559 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.936 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.2 mttt -59.27 -39.43 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.358 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 16' ' ' LEU . 55.4 tp -61.96 -36.51 81.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.558 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 11' ' ' SER . 44.2 t -59.3 -46.67 87.92 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.71 -39.33 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.545 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.6 mt -59.79 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 59.1 mtm -60.13 -51.2 70.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.524 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.475 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.8 t70 -67.49 -40.78 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.519 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 43' ' ' ILE . 56.0 ttm -60.18 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.273 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.728 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 25.1 m-85 -105.01 92.09 5.01 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.957 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 19' ' ' MET . 87.2 Cg_endo -78.07 59.63 7.04 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.634 2.223 . . . . 0.0 112.224 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 23' ' ' ILE . . . -165.71 -48.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.091 0.472 . . . . 0.0 111.682 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG23 ' HD3' ' A' ' 27' ' ' LYS . 3.9 mp -74.12 135.23 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.801 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -61.78 147.46 46.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.507 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -56.47 -39.14 72.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.088 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.5 m -56.53 -47.59 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.9 tttp -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.919 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -56.97 -39.55 74.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.509 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.5 tt0 -62.28 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.648 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' SER . 68.8 t -60.55 -47.88 90.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.1 m-70 -60.25 -44.1 95.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.77 -41.25 95.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -64.7 -45.66 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.419 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 54.2 mt-10 -58.61 -52.12 67.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.067 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.649 ' HB3' HD23 ' A' ' 41' ' ' LEU . 72.9 m-80 -83.71 32.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 64.75 -72.82 0.06 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -177.92 31.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -86.83 127.81 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 12' ' ' LYS . 76.3 mt -79.71 -52.91 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.751 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.12 -40.86 70.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.646 0.26 . . . . 0.0 111.158 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 35' ' ' ASN . 40.8 tp -68.84 -65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.076 0.465 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 31' ' ' HIS . 97.3 m -51.27 -59.73 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.035 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.728 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 73.4 mt -56.21 -37.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.57 -49.91 44.33 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.634 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 42' ' ' THR . 4.4 mm? -57.76 -41.46 81.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.415 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' B' ' 48' ' ' LYS . 62.0 mt -55.45 -50.01 70.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 0.0 110.111 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 8.5 mtpm? -82.98 42.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.566 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.862 0.363 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.707 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 65.4 mt-30 -146.37 -178.41 6.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 pt -147.83 130.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -88.2 118.21 27.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.415 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.77 96.04 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.252 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.5 tttt -90.97 130.05 36.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.705 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.4 p -93.55 147.95 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.273 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 15' ' ' ILE . 52.5 mt -50.57 -38.58 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -60.67 -57.82 11.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.401 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.01 53.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.584 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.496 ' HE2' HD11 ' B' ' 13' ' ' ILE . 86.8 tttt -138.74 126.36 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.032 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -103.41 138.19 40.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.274 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.496 HD11 ' HE2' ' B' ' 11' ' ' LYS . 75.2 mt -135.76 93.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.523 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.4 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 91.4 m -73.07 143.74 47.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.425 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' B' ' 14' ' ' THR . 9.4 mt -145.68 136.24 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.707 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 43.8 tt0 -75.5 131.59 40.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -151.58 135.97 9.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.375 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 20' ' ' SER . 43.5 tp10 -70.72 149.17 47.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.98 -40.83 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.485 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 53.1 m -82.18 49.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 8.6 t70 -120.22 124.22 45.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.125 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.706 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -71.12 143.46 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.85 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.9 mm -51.79 -41.64 30.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -54.65 -45.86 73.9 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.706 ' H ' HG23 ' B' ' 22' ' ' THR . 54.4 t-20 -57.07 -43.21 81.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.74 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.477 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.1 t -59.21 -38.76 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.088 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.598 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.091 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -59.74 -46.35 89.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -59.55 -43.61 93.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 26' ' ' VAL . 68.3 mt -58.15 -41.09 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 9.8 tp-100 -58.25 -47.05 84.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.758 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -62.91 -35.95 81.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -68.84 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.165 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -81.07 -38.49 27.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.04 37.68 11.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.007 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -101.36 133.3 20.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.428 0.156 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.9 Cg_endo -52.17 141.77 47.53 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.704 2.27 . . . . 0.0 112.159 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.29 -42.73 62.98 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.841 2.361 . . . . 0.0 112.837 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.97 -44.05 94.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.981 0.419 . . . . 0.0 110.775 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -67.42 -58.67 4.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.436 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.692 ' HB2' HD11 ' B' ' 69' ' ' LEU . 21.1 pt20 -69.32 139.44 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 111.796 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.65 110.85 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.273 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.598 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.0 mm? -83.95 110.43 18.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.45 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.59 HD13 HD21 ' A' ' 47' ' ' LEU . 77.2 mt -98.24 142.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.824 ' HB3' HD21 ' B' ' 50' ' ' LEU . 34.6 t80 -163.2 146.18 10.43 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.52 -32.97 0.25 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.721 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' HD1' ' A' ' 20' ' ' PHE . . . 164.1 -17.19 0.11 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.822 ' HA ' HD22 ' A' ' 47' ' ' LEU . 22.9 pttm -158.95 165.41 34.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.394 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.59 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -53.31 134.37 39.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.2 mt -70.27 135.74 49.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 50.2 mt-10 -70.58 132.26 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.66 142.37 57.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.563 ' H ' ' HB2' ' B' ' 24' ' ' ASP . . . 93.83 -31.59 6.44 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.942 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.597 ' O ' HG12 ' B' ' 23' ' ' ILE . 12.2 mmp_? -64.7 134.7 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.376 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -75.88 151.74 37.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 83.0 mt -53.37 -40.28 64.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.8 p -55.31 -32.98 62.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.265 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.86 -53.89 51.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.344 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.579 ' HB2' HG13 ' B' ' 61' ' ' ILE . 21.8 m-85 -83.45 16.46 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 49.3 34.25 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.579 HG13 ' HB2' ' B' ' 59' ' ' TYR . 68.2 mt -71.77 123.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 0.2 OUTLIER -84.02 -155.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -96.94 148.41 22.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.03 42.73 15.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -73.75 -152.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.1 m -162.63 131.67 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.1 133.8 55.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.324 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.516 ' ND1' ' HB2' ' A' ' 19' ' ' MET . 33.3 m170 -93.85 109.76 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' B' ' 41' ' ' GLN . 64.2 tp -76.23 137.34 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.199 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.6 HG22 HD11 ' B' ' 8' ' ' LEU . 57.4 t -140.62 129.87 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.934 0.397 . . . . 0.0 111.286 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.9 mp -85.91 141.65 29.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.857 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.498 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.961 0.41 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.622 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -81.58 -22.98 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.86 -34.66 20.67 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.754 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -58.88 -48.98 79.5 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.82 ' HB3' HD21 ' A' ' 39' ' ' LEU . 38.7 mtmm -59.98 -38.29 82.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.304 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.89 -38.88 87.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.702 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -59.22 -47.84 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.647 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.928 HG21 HD22 ' B' ' 8' ' ' LEU . 1.7 mp -57.66 -40.23 74.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.114 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.3 mt -60.24 -42.03 94.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.821 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 81.7 mtp -61.9 -50.94 70.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.558 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -67.55 -44.33 78.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.611 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 56.8 ttm -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.206 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.668 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 26.8 m-85 -102.03 98.13 9.57 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.44 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 19' ' ' MET . 90.8 Cg_endo -80.16 50.77 3.65 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.613 2.208 . . . . 0.0 112.955 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.98 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 27' ' ' LYS . 63.3 mt -59.92 134.05 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.287 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 t -65.94 144.3 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 60.0 mtpt -55.1 -44.88 75.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.0 t -56.7 -44.8 81.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.098 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HD2' HG23 ' A' ' 23' ' ' ILE . 25.1 ttmm -61.25 -48.99 78.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.073 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.3 mt -56.75 -41.29 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.933 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -63.06 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 26' ' ' SER . 89.6 t -58.94 -51.53 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' HB3' HG23 ' A' ' 42' ' ' THR . 83.2 m-70 -60.93 -41.31 95.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 53.4 tp -60.38 -43.67 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.17 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.1 mt -63.41 -47.86 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.401 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 -44.35 91.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -77.29 34.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 45.87 38.03 4.07 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 76.3 m-20 57.92 42.77 22.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.037 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.79 128.38 49.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 0.0 111.025 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.82 HD21 ' HB3' ' A' ' 12' ' ' LYS . 87.0 mt -79.35 -48.97 13.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.624 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.8 -39.03 90.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.902 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 41' ' ' LEU . 3.0 tm? -71.88 -55.76 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.679 0.276 . . . . 0.0 111.041 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 63.2 m -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.668 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 68.0 mt -60.79 -42.55 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.33 -45.43 52.72 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.972 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.2 tt -68.13 -40.78 82.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 109.967 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 42' ' ' THR . 94.5 mt -60.91 -29.27 69.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.731 HD21 HD13 ' B' ' 44' ' ' ILE . 76.5 mt -63.52 -46.84 84.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.271 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -77.18 30.13 0.14 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 178.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.721 ' HE1' HD13 ' B' ' 56' ' ' LEU . 1.5 tmt? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -125.55 166.52 16.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 17' ' ' VAL . 12.2 pt -142.97 132.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.015 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -81.88 150.58 27.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.708 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' B' ' 69' ' ' LEU . 45.7 t -137.36 78.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 86.2 tttt -80.14 116.81 20.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.644 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 11' ' ' LYS . 2.3 t -80.12 141.95 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 15' ' ' ILE . 36.2 mt -49.43 -34.88 17.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.757 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -51.44 -55.0 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.549 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.55 54.36 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.968 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 7' ' ' THR . 7.5 tmtm? -162.13 118.54 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.852 0.358 . . . . 0.0 110.799 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 54.7 m -85.87 134.24 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.578 HG21 ' NZ ' ' B' ' 33' ' ' LYS . 64.7 mt -124.38 109.9 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 111.45 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -83.02 145.93 29.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.643 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.559 HD21 ' HZ2' ' B' ' 33' ' ' LYS . 14.0 mt -146.28 143.85 29.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.609 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -74.55 125.16 28.02 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.615 HG21 HD11 ' B' ' 3' ' ' ILE . 25.4 t -150.46 132.67 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 0.0 111.842 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.23 141.8 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.233 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.1 m -59.74 -30.38 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 m -102.24 31.14 4.12 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.749 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 35.4 t70 -79.33 -128.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.752 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.8 t -175.03 140.46 0.53 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.66 0.267 . . . . 0.0 110.729 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.621 HG22 ' HE3' ' B' ' 27' ' ' LYS . 32.4 mm -51.99 -37.91 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 8.1 t70 -58.03 -47.1 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.752 ' H ' HG23 ' B' ' 22' ' ' THR . 49.4 t30 -59.88 -42.44 93.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.741 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.533 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.46 -47.55 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' B' ' 23' ' ' ILE . 96.9 mttt -61.12 -41.15 96.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.428 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -58.41 -45.07 89.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.563 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.54 -40.43 96.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.346 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.533 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.5 mt -60.15 -42.48 90.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.438 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.7 tp60 -62.02 -51.57 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.42 -38.92 85.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.403 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.737 ' HE3' ' HG3' ' B' ' 34' ' ' GLU . 36.3 ttpt -73.68 -76.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.27 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.737 ' HG3' ' HE3' ' B' ' 33' ' ' LYS . 49.9 mt-10 -69.03 -35.84 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.43 37.32 31.66 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.177 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.402 HG21 HD22 ' B' ' 71' ' ' LEU . 63.8 mt -91.97 133.81 29.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.129 . . . . 0.0 110.771 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 7.3 Cg_endo -50.86 133.46 39.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HA ' HE21 ' B' ' 41' ' ' GLN . 46.6 Cg_exo -56.13 -41.15 79.78 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.314 2.01 . . . . 0.0 111.691 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.92 33.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.719 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 36.6 tt0 -161.29 31.6 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.009 0.433 . . . . 0.0 110.724 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 38' ' ' PRO . 2.9 pp0? -166.26 139.81 4.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.728 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.452 ' HG3' ' HB ' ' B' ' 70' ' ' VAL . 3.9 ptp85 -154.74 134.33 12.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.334 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' B' ' 30' ' ' ILE . 98.6 mt -87.01 125.56 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.667 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.762 HD12 HG21 ' B' ' 70' ' ' VAL . 88.5 mt -117.2 141.33 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.484 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.447 ' CE2' HG12 ' B' ' 61' ' ' ILE . 21.5 t80 -158.24 150.46 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.652 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.95 31.42 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.66 32.38 74.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.616 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.529 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.4 ttpm? -172.71 142.48 1.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.231 0.515 . . . . 0.0 111.816 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 47' ' ' LEU . 14.1 tt0 -56.37 131.57 48.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.757 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' B' ' 45' ' ' PHE . 85.1 mt -82.61 129.73 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.46 133.06 49.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.24 -41.56 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 43.7 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.83 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.569 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.9 mmt-85 -146.98 132.9 19.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.897 0.379 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.1 p -74.18 155.29 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' B' ' 1' ' ' MET . 93.3 mt -53.06 -41.11 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.938 0.399 . . . . 0.0 110.83 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -58.6 -31.38 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.02 -56.34 14.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.459 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.454 ' HB2' HG13 ' B' ' 61' ' ' ILE . 54.9 m-85 -82.64 26.04 0.6 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 49.37 33.08 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 56' ' ' LEU . 63.9 mt -66.81 126.24 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.992 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -74.97 -138.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.782 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -120.71 142.38 49.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 61.32 40.41 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -69.53 139.11 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 75.4 m -88.41 87.25 7.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.535 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -85.91 134.06 33.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.128 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 37.3 m170 -89.13 120.08 30.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.411 ' HB2' ' CG1' ' B' ' 5' ' ' VAL . 64.7 tp -83.56 81.07 8.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.442 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.762 HG21 HD12 ' B' ' 44' ' ' ILE . 83.1 t -71.91 122.42 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.891 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.402 HD22 HG21 ' B' ' 36' ' ' ILE . 90.4 mt -99.72 137.39 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.517 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.719 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 51.7 ttt-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.632 0.253 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CE1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -69.96 -22.86 63.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.482 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 46.7 mt-10 -50.22 -37.46 35.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -60.5 -45.21 94.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HB3' HD21 ' A' ' 39' ' ' LEU . 25.7 mmtp -59.42 -39.12 82.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.861 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.5 tp -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.898 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 m -58.66 -47.15 85.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.542 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.897 HG21 ' HG ' ' B' ' 8' ' ' LEU . 1.7 mp -57.75 -40.29 74.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.005 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' A' ' 28' ' ' LEU . 93.5 mt -60.64 -42.11 96.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.1 mtt -63.24 -53.94 45.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 8.4 t70 -65.59 -44.43 86.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.398 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.621 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 57.9 ttm -60.43 -45.5 93.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.147 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.715 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 33.3 m-85 -106.59 89.93 4.57 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.23 51.32 3.65 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.701 2.267 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.81 -39.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 27' ' ' LYS . 66.4 mt -63.32 133.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -65.3 145.95 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.84 -42.38 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 30' ' ' VAL . 52.8 m -59.13 -48.52 81.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.141 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.801 ' HD2' HG23 ' A' ' 23' ' ' ILE . 4.9 ttmp? -57.84 -43.09 85.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.098 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.785 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -60.1 -46.55 89.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.62 -40.24 96.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 26' ' ' SER . 87.9 t -63.62 -56.87 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.785 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 6.3 p80 -60.86 -42.05 97.08 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.424 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 53.4 tp -57.84 -48.71 78.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.351 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 9' ' ' HIS . 89.9 mt -68.52 -47.21 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 57.0 mt-10 -53.94 -45.52 71.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -64.73 -76.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.14 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 50.9 t-20 171.08 36.04 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.117 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.17 38.74 30.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.81 138.24 47.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.701 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 12' ' ' LYS . 86.6 mt -85.46 -56.52 3.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.77 -42.54 71.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 41' ' ' LEU . 2.5 tm? -69.71 -60.51 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.317 . . . . 0.0 111.516 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 21.5 m -57.46 -55.12 38.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.261 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.715 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 80.8 mt -57.77 -41.85 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -46.88 60.01 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.859 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.6 tt -67.56 -38.82 84.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.275 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.9 mt -60.28 -38.23 82.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.05 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.976 HD22 ' HA ' ' B' ' 48' ' ' LYS . 48.2 mt -48.66 -47.42 40.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.882 0.373 . . . . 0.0 111.138 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -69.26 -39.37 78.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.236 -179.379 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.609 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.9 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.044 0.45 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.41 157.99 35.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.238 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 pt -148.1 130.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.556 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -77.1 142.18 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.478 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.6 t -129.61 80.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.988 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.633 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 63.6 tttp -77.08 135.31 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.522 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.5 p -101.22 137.21 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 15' ' ' ILE . 10.3 mp -52.11 -34.56 44.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.695 0.283 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -58.74 -53.71 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.44 57.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.815 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -160.59 122.93 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.21 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.1 m -103.03 138.71 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.784 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' B' ' 15' ' ' LEU . 57.1 mt -131.76 126.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 111.206 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.69 ' C ' HD22 ' B' ' 15' ' ' LEU . 88.5 m -93.91 133.96 36.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.474 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.69 HD22 ' C ' ' B' ' 14' ' ' THR . 3.3 mm? -134.36 142.73 47.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -94.57 129.62 41.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 1' ' ' MET . 22.2 m -149.43 136.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.976 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 20' ' ' SER . 39.6 tt0 -66.43 150.84 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.9 p -54.08 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.793 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.479 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 38.6 t -90.73 33.07 0.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.46 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 22' ' ' THR . 27.9 t70 -83.67 -141.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.64 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -166.08 144.36 5.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.929 0.395 . . . . 0.0 111.038 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.6 mm -50.97 -40.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.158 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.06 -43.86 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.311 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.64 ' H ' HG23 ' B' ' 22' ' ' THR . 32.1 m-20 -59.08 -44.95 91.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.911 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.505 HG22 HG11 ' B' ' 17' ' ' VAL . 45.4 t -59.39 -45.1 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.583 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.22 88.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -59.54 -46.15 89.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.097 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -58.7 -47.8 83.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.433 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.1 -36.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.4 tt0 -60.3 -44.19 95.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.14 -44.24 72.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.546 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.668 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.1 mtpm? -65.89 -62.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.32 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.086 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 79.51 37.98 22.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.849 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -110.11 134.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.03 144.54 56.95 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.561 2.174 . . . . 0.0 111.976 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.2 Cg_endo -53.36 -40.51 77.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.753 2.302 . . . . 0.0 112.41 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.02 -40.98 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.783 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -79.09 35.44 0.26 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.257 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.913 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -166.66 146.37 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.935 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.752 HH21 HD11 ' A' ' 47' ' ' LEU . 40.1 mtp180 -143.81 123.47 13.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 69.2 mt -90.85 83.21 5.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 47' ' ' LEU . 79.5 mt -81.67 137.54 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.723 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.53 ' HE2' HG12 ' B' ' 61' ' ' ILE . 27.5 t80 -161.31 144.61 12.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.878 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.11 -31.54 0.19 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.187 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 174.66 -24.39 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.052 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.976 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.37 167.79 17.4 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.931 0.396 . . . . 0.0 111.684 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 20.6 pt20 -53.08 129.93 32.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.202 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HD2' ' B' ' 45' ' ' PHE . 50.4 mt -76.24 139.53 41.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.629 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.54 134.56 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -76.37 46.35 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.678 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.34 47.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.408 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 23' ' ' ILE . 27.1 mmm180 -145.63 133.28 20.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.425 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.5 p -63.9 148.75 48.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.6 -37.45 50.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -55.22 -36.22 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.867 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.41 -56.57 15.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.561 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HB2' HG13 ' B' ' 61' ' ' ILE . 50.7 m-85 -82.46 11.43 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.619 0.247 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 50.3 38.52 17.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.53 HG12 ' HE2' ' B' ' 45' ' ' PHE . 71.7 mt -63.64 128.9 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.422 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -80.75 147.75 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.744 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -63.12 138.21 58.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 65.03 39.25 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.897 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' B' ' 66' ' ' THR . 49.7 m -80.3 -148.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.66 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.537 ' C ' HD12 ' B' ' 67' ' ' LEU . 87.8 m -161.03 130.98 4.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.032 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.537 HD12 ' C ' ' B' ' 66' ' ' THR . 6.6 mp -123.41 144.43 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.624 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 36.3 m170 -97.02 128.7 44.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.174 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' B' ' 41' ' ' GLN . 63.8 tp -103.26 96.62 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.56 HG21 HD12 ' B' ' 44' ' ' ILE . 45.8 t -74.29 134.21 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.597 ' HG ' ' HG3' ' B' ' 72' ' ' ARG . 62.9 tp -72.13 124.68 25.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.635 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.783 ' HA ' ' HA ' ' B' ' 40' ' ' GLN . 95.9 mtt180 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 121.487 0.661 . . . . 0.0 112.061 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.707 0.289 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -23.47 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 109.942 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -50.1 -35.61 26.26 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -59.73 -48.39 81.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.676 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.14 -40.28 80.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 178.218 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 16' ' ' LEU . 45.6 tp -62.89 -40.15 96.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.798 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -59.31 -46.55 88.28 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.91 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.43 -41.99 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 13' ' ' LEU . 87.5 mt -59.58 -41.42 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 60.2 mtt -61.88 -55.78 26.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.429 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.564 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 63.3 t0 -65.22 -42.86 93.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.342 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 55.2 ttm -59.47 -42.07 91.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.684 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 49.6 m-85 -113.85 76.97 3.39 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 73.9 Cg_endo -74.33 51.64 2.58 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.745 2.297 . . . . 0.0 112.562 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.2 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.141 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -64.69 135.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -60.39 139.66 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -56.06 -34.27 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.8 p -53.15 -50.2 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.48 -44.44 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.3 mt -60.34 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.04 -40.91 91.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.226 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 26' ' ' SER . 81.4 t -61.83 -55.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.106 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.729 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.9 p80 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.346 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 45.0 tp -58.24 -47.63 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.38 -48.94 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.14 -47.44 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.87 40.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 43.75 47.06 6.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 32' ' ' LEU . 12.0 p-10 41.56 39.8 1.2 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.572 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.3 140.82 32.25 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.606 0.241 . . . . 0.0 110.622 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' HG3' ' A' ' 12' ' ' LYS . 87.8 mt -98.0 -55.19 2.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.33 -47.24 85.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.42 -56.21 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.569 HG21 ' ND1' ' A' ' 31' ' ' HIS . 56.3 m -56.77 -55.42 34.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.684 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 77.4 mt -64.0 -41.41 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.16 -48.96 31.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.7 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 45' ' ' LEU . 6.6 tt -67.46 -40.47 85.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.503 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.38 -37.88 73.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.908 HD22 ' HA ' ' B' ' 48' ' ' LYS . 35.9 mt -61.91 -46.99 86.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.039 0.447 . . . . 0.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -81.35 41.71 0.63 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.46 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.321 0.582 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.581 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 84.9 mt-30 -69.86 167.52 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.69 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.491 HD13 HG21 ' B' ' 17' ' ' VAL . 33.5 pt -149.27 135.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 4.3 m-85 -82.73 144.87 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.639 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.83 78.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.88 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 86.2 tttt -73.65 125.65 28.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.887 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -84.23 145.9 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.903 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.954 HD11 HG22 ' B' ' 70' ' ' VAL . 37.9 mt -50.09 -36.98 31.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.751 0.31 . . . . 0.0 110.636 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -62.38 -54.36 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.92 -40.82 0.35 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.125 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -55.18 130.98 44.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.581 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 90.3 m -113.65 133.93 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.684 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -116.51 128.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 111.587 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -99.84 136.22 40.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' HG12 ' B' ' 3' ' ' ILE . 40.9 mt -144.77 138.15 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.458 . . . . 0.0 111.136 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 89.0 tt0 -86.12 134.05 33.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.723 HG11 HG22 ' B' ' 26' ' ' VAL . 28.9 m -150.43 134.26 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.585 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 88.3 tt0 -67.44 145.66 54.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.58 ' HA ' HD12 ' B' ' 56' ' ' LEU . 57.5 m -77.29 42.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -160.44 40.45 0.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.585 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.4 m-20 -121.56 -121.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.705 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.587 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -167.46 145.78 4.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 111.183 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.518 HG22 ' HE3' ' B' ' 27' ' ' LYS . 45.8 mm -51.45 -37.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -55.78 -42.12 75.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.587 ' H ' HG23 ' B' ' 22' ' ' THR . 52.8 t-20 -57.26 -45.16 84.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.301 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.723 HG22 HG11 ' B' ' 17' ' ' VAL . 59.8 t -59.83 -46.03 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.461 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 31' ' ' GLN . 97.1 mttt -57.69 -44.45 85.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.398 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -58.14 -44.05 87.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.508 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 54.5 mtpt -59.56 -41.21 89.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.4 mt -60.65 -43.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 27' ' ' LYS . 15.7 mt-30 -58.05 -54.51 46.12 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.633 0.73 . . . . 0.0 110.531 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.01 -38.13 78.51 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -73.09 -76.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.029 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.18 -42.44 96.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.784 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.13 57.74 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.343 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.39 130.21 10.54 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.539 0.209 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.663 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 18.4 Cg_endo -59.12 143.13 99.9 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.547 2.165 . . . . 0.0 112.213 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.49 -32.38 93.59 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.97 2.446 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 8.4 t70 -55.77 -47.44 77.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.845 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.663 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 5.3 pt20 -89.52 38.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.592 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 3.1 pt20 -167.96 137.2 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 111.0 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.592 ' HD2' ' O ' ' B' ' 41' ' ' GLN . 23.5 mmm180 -134.16 124.78 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.291 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.8 mp -84.55 121.36 27.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.145 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 72.8 mt -108.4 142.64 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.223 0.535 . . . . 0.0 111.911 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' CE2' HG12 ' B' ' 61' ' ' ILE . 29.5 t80 -152.9 145.77 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.191 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.571 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.98 -65.27 0.3 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.594 0.559 . . . . 0.0 110.884 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.26 17.23 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.707 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.908 ' HA ' HD22 ' A' ' 47' ' ' LEU . 24.2 pttm -173.72 156.71 2.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.901 0.381 . . . . 0.0 111.23 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.592 ' HB3' HD13 ' A' ' 47' ' ' LEU . 17.8 pt20 -58.48 126.41 27.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.411 ' HB2' HG21 ' B' ' 23' ' ' ILE . 82.6 mt -70.48 137.02 49.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.041 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.93 139.23 56.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 2.3 p30 -77.88 46.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.96 50.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -145.75 135.52 23.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.908 0.385 . . . . 0.0 111.333 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.2 p -65.34 153.65 40.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.383 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' B' ' 19' ' ' SER . 94.0 mt -55.61 -41.72 73.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -59.28 -29.19 67.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.729 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -52.26 -57.31 10.1 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.671 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.88 22.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.59 0.233 . . . . 0.0 111.068 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 49.37 38.11 13.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.0 110.34 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.6 mt -62.3 127.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.848 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' B' ' 65' ' ' SER . 47.6 mm-40 -84.97 156.55 21.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.325 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 14.8 ptmm? -53.17 146.29 11.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 24.7 pt-20 45.36 40.66 5.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.799 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.9 t -71.17 138.5 49.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.2 m -86.18 130.76 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.077 0.465 . . . . 0.0 112.065 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 ' C ' ' B' ' 66' ' ' THR . 8.2 mp -123.41 135.5 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.941 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.564 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 35.8 m170 -91.79 116.17 28.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.007 0.432 . . . . 0.0 111.98 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' B' ' 8' ' ' LEU . 63.9 tp -84.97 128.78 34.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.954 HG22 HD11 ' B' ' 8' ' ' LEU . 49.7 t -114.91 118.76 59.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.471 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 40' ' ' GLN . 54.0 tp -89.46 127.83 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.583 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 45.8 mtp85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -79.42 -23.59 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.054 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -50.66 -34.75 27.65 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.319 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' HG12 ' A' ' 15' ' ' ILE . 48.2 t -59.46 -49.28 78.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.906 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.8 mttm -63.74 -37.53 87.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.451 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -41.38 95.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.255 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -61.42 -42.23 98.41 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.93 HG21 HD12 ' B' ' 8' ' ' LEU . 21.7 mm -55.5 -41.44 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.51 -42.38 99.47 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.815 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -54.82 -52.3 63.12 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.005 0.431 . . . . 0.0 110.025 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.33 -29.32 64.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 57.6 tpp -63.8 -39.01 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.664 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CG ' HD12 ' A' ' 23' ' ' ILE . 17.7 m-85 -130.78 111.97 16.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.337 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.9 -41.86 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.311 2.008 . . . . 0.0 112.374 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.78 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.0 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.788 HG23 ' HD3' ' A' ' 27' ' ' LYS . 59.3 mt -64.52 132.03 30.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.983 0.421 . . . . 0.0 111.615 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.9 p -71.52 146.84 48.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.73 -40.48 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.6 p -58.65 -47.41 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.788 ' HD3' HG23 ' A' ' 23' ' ' ILE . 61.9 tttm -59.01 -48.76 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.5 tt0 -62.65 -41.28 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.289 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 26' ' ' SER . 61.8 t -60.16 -49.67 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -59.61 -45.16 92.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.242 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 9' ' ' HIS . 39.5 tp -58.69 -39.8 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.5 mt -71.5 -40.56 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.972 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 50.6 mt-10 -51.42 -63.23 1.2 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 75.5 m-80 -63.05 -63.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 110.467 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 15.6 t-20 172.47 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.026 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 p30 173.43 33.01 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.558 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.92 140.12 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 12' ' ' LYS . 74.8 mt -91.26 -50.58 5.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.16 -40.39 89.73 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.442 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.42 -58.01 4.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.454 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 87.4 m -56.05 -53.3 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 66.4 mt -62.14 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.41 -42.52 57.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.216 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 -46.86 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.901 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mt -61.17 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.109 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.551 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.0 mt -55.02 -41.24 71.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 87.2 tttt -82.08 39.54 0.58 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 86.7 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.0 mt-30 -77.37 147.07 36.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.915 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -137.3 138.01 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -79.51 145.76 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.86 97.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.8 ' HG2' HG22 ' B' ' 12' ' ' THR . 28.4 mtpp -78.23 139.5 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.565 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 74.6 p -93.54 145.9 24.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.553 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.014 HD22 HG13 ' B' ' 70' ' ' VAL . 45.1 tp -50.48 -35.88 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -70.53 -61.98 1.56 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.89 65.78 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.148 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -159.52 125.36 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 111.233 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.8 HG22 ' HG2' ' B' ' 6' ' ' LYS . 47.2 p -87.89 142.18 28.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.244 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' B' ' 15' ' ' LEU . 59.0 mt -132.05 118.6 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.38 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.626 ' C ' HD22 ' B' ' 15' ' ' LEU . 55.4 m -84.12 132.09 34.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.535 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.626 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.04 153.15 49.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.605 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 5.6 tp10 -107.27 124.28 49.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.915 HG22 HD12 ' B' ' 3' ' ' ILE . 31.2 m -150.56 133.4 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.04 0.448 . . . . 0.0 111.604 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.557 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 42.2 tp10 -67.87 150.82 48.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.542 ' HA ' HD12 ' B' ' 56' ' ' LEU . 37.0 t -77.15 41.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -163.53 32.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.963 0.411 . . . . 0.0 110.946 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.557 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.2 m-20 -98.2 -122.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.678 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.1 t -169.09 147.46 3.85 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.576 0.227 . . . . 0.0 110.94 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 54' ' ' ARG . 44.8 mm -51.18 -43.88 28.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 8.0 t70 -55.16 -39.91 70.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.275 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.678 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -56.75 -44.67 81.96 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.955 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.39 -39.26 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 48.7 mmtm -57.95 -47.1 83.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.792 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 50.1 m -63.18 -43.29 98.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.754 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.601 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.2 mtpm? -62.36 -44.58 96.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.375 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.57 HD12 HD21 ' B' ' 43' ' ' LEU . 83.5 mt -64.27 -50.48 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.608 ' HG3' ' H ' ' B' ' 32' ' ' ASP . 9.5 pt20 -61.24 -54.97 37.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.909 0.385 . . . . 0.0 111.631 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.608 ' H ' ' HG3' ' B' ' 31' ' ' GLN . 64.0 t0 -54.85 -40.57 69.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.83 -69.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 112.027 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.67 -54.53 13.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.841 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.32 61.94 0.34 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.374 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.597 HD12 HD21 ' B' ' 69' ' ' LEU . 69.5 mt -136.9 132.96 18.52 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-N 116.789 0.294 . . . . 0.0 111.317 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 54.2 Cg_exo -52.03 137.31 53.45 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.439 2.093 . . . . 0.0 112.026 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.83 -44.29 31.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.701 2.267 . . . . 0.0 112.822 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.48 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 35.4 p-10 -64.4 -40.05 95.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.794 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.576 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 86.0 mt-30 -72.98 -46.86 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.498 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.49 134.71 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.623 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.533 ' HE ' ' HB3' ' B' ' 49' ' ' GLN . 79.2 ttt180 -134.42 114.22 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.506 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.57 HD21 HD12 ' B' ' 30' ' ' ILE . 8.7 mp -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.381 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 47' ' ' LEU . 91.2 mt -100.73 142.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.841 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -164.36 141.01 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.785 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.2 33.59 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.27 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.11 72.52 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.838 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.551 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -173.14 144.56 1.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.304 0.552 . . . . 0.0 111.912 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.549 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 8.4 pt20 -58.4 137.13 57.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.003 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' ' 45' ' ' PHE . 83.3 mt -75.78 130.84 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.785 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 51.6 mt-10 -66.86 136.09 54.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -66.17 138.9 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.655 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.489 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 77.55 41.32 20.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.126 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.574 ' O ' HG12 ' B' ' 23' ' ' ILE . 38.7 mmt180 -127.29 132.81 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 0.0 111.039 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -68.37 145.65 53.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' B' ' 19' ' ' SER . 88.6 mt -54.44 -40.96 68.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -59.76 -32.48 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.419 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.88 -54.84 32.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.273 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.48 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.0 m-85 -82.7 20.76 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.822 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 49.49 34.14 6.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.5 mt -69.18 126.43 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.1 -155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.09 145.07 29.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 88.7 mt-10 60.1 40.32 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 -151.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 88.1 m -158.64 128.96 5.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.73 134.96 53.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.0 m-70 -95.81 127.67 42.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 111.74 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.597 HD21 HD12 ' B' ' 36' ' ' ILE . 68.7 tp -95.67 126.97 41.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.895 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.014 HG13 HD22 ' B' ' 8' ' ' LEU . 70.2 t -141.27 133.49 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.106 0.479 . . . . 0.0 111.157 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 59.5 tp -75.51 133.93 40.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.328 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 99.7 mtt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.691 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.628 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.12 -23.81 63.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.457 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 14.9 pt-20 -50.66 -38.63 47.56 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.637 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -58.32 -47.93 82.16 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HB3' HD21 ' A' ' 39' ' ' LEU . 62.3 mttp -60.97 -38.21 85.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.361 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.0 tp -60.09 -39.26 85.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -59.4 -46.25 89.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.293 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.571 HG22 ' SD ' ' A' ' 19' ' ' MET . 7.0 mm -56.34 -42.82 75.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.762 ' HB3' HD13 ' A' ' 28' ' ' LEU . 96.7 mt -58.68 -41.51 86.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.42 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.574 ' SD ' ' HD3' ' A' ' 25' ' ' LYS . 75.4 mtm -62.08 -51.37 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.4 t70 -67.71 -36.28 80.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.094 0.473 . . . . 0.0 110.483 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' HD13 ' A' ' 43' ' ' ILE . 6.9 mtt -69.2 -33.14 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.509 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.9 m-85 -136.79 64.92 52.0 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 71.4 Cg_exo -49.83 -42.28 44.66 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.713 2.275 . . . . 0.0 112.584 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.91 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 20' ' ' PHE . 72.5 mt -68.97 134.26 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -65.2 140.95 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HD3' ' SD ' ' A' ' 17' ' ' MET . 25.7 ttpp -56.26 -37.56 69.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 30' ' ' VAL . 80.6 p -55.65 -48.35 75.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.164 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.9 ttmp? -61.03 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 16' ' ' LEU . 85.8 mt -57.82 -40.05 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.62 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 52.0 tt0 -62.91 -42.58 99.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 26' ' ' SER . 68.6 t -59.06 -49.26 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -60.36 -41.5 93.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 9' ' ' HIS . 56.0 tp -61.14 -42.58 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 89.7 mt -62.74 -44.46 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 56.5 mt-10 -58.53 -54.5 46.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.263 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -81.1 36.71 0.42 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 64.48 -73.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.271 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 177.37 36.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -97.15 130.13 44.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 12' ' ' LYS . 68.6 mt -79.59 -43.51 22.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.001 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.24 -50.78 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.98 -57.6 5.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 46' ' ' LEU . 91.8 m -55.94 -62.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.444 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.803 HD11 HD22 ' A' ' 39' ' ' LEU . 63.2 mt -57.37 -40.17 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.96 -46.0 55.79 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.854 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.8 -39.04 76.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.808 0.337 . . . . 0.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 42' ' ' THR . 4.1 mm? -56.38 -39.04 72.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' B' ' 49' ' ' GLN . 47.3 mt -54.86 -49.34 71.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.844 0.354 . . . . 0.0 110.765 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -83.86 43.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.44 -179.8 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.879 0.371 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.65 140.69 56.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.739 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.402 HG12 ' O ' ' B' ' 15' ' ' LEU . 35.7 pt -142.16 133.29 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.577 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.65 134.66 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.712 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -116.11 85.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 88.0 tttt -75.46 135.34 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.277 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -105.29 153.34 21.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.873 HD22 HD13 ' A' ' 39' ' ' LEU . 88.6 mt -49.95 -42.0 47.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -64.08 -61.34 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.15 59.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.54 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 13' ' ' ILE . 24.1 ttmm -141.71 123.2 14.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.7 p -107.18 76.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.765 HD11 ' HD3' ' B' ' 11' ' ' LYS . 46.1 mm -69.81 123.47 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.686 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.0 m -91.09 134.93 34.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.686 HD22 ' C ' ' B' ' 14' ' ' THR . 3.6 mm? -133.48 145.27 50.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.442 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.64 126.5 44.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.743 HG11 HG22 ' B' ' 26' ' ' VAL . 28.1 m -152.63 140.53 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mp0 -65.76 144.66 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.364 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.593 ' HA ' HD12 ' B' ' 56' ' ' LEU . 80.5 p -57.67 -42.33 83.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.765 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -93.76 33.28 1.31 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.5 ' O ' HG22 ' B' ' 55' ' ' THR . 8.5 t0 -90.83 -123.74 0.07 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.377 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.545 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.4 t -166.45 141.86 4.53 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.9 mm -52.32 -41.53 34.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.38 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.09 -42.73 63.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.545 ' H ' HG23 ' B' ' 22' ' ' THR . 46.7 t30 -61.92 -41.66 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.743 HG22 HG11 ' B' ' 17' ' ' VAL . 60.3 t -57.56 -50.55 76.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 96.3 mttt -61.51 -36.45 80.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.02 -47.76 84.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.629 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -62.64 -45.06 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.95 -41.57 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.3 tt0 -62.44 -48.31 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -38.37 86.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.407 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.72 -72.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.3 -39.4 62.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.75 34.35 9.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.184 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -91.81 132.94 31.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.411 0.148 . . . . 0.0 111.014 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 53.2 Cg_exo -54.87 133.81 59.75 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.277 1.984 . . . . 0.0 112.03 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.57 -39.7 80.61 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.85 -42.72 80.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.55 34.33 0.21 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.704 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.84 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.9 pt20 -162.59 136.99 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' B' ' 42' ' ' ARG . 1.0 OUTLIER -130.61 123.48 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.593 HD11 HD23 ' B' ' 67' ' ' LEU . 58.5 tp -79.12 129.0 34.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.65 HD13 HD21 ' A' ' 47' ' ' LEU . 96.1 mt -131.55 136.38 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.52 . . . . 0.0 111.326 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 22.4 t80 -157.79 151.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.195 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.484 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.66 -65.81 0.26 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.636 0.585 . . . . 0.0 110.724 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.04 23.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.329 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -173.34 164.07 4.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.215 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.868 ' HB2' HD13 ' A' ' 47' ' ' LEU . 41.5 tt0 -64.8 128.54 36.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 76.2 mt -76.72 135.57 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.259 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.32 138.56 58.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.63 50.47 1.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.28 50.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.54 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.1 mmt180 -147.76 137.82 22.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.937 0.399 . . . . 0.0 111.176 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 21' ' ' ASP . 80.8 p -63.38 151.4 41.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.856 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.731 HD11 HG23 ' B' ' 17' ' ' VAL . 86.9 mt -58.01 -44.85 87.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.004 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -57.71 -29.01 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.701 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -53.95 -53.4 53.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.123 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' B' ' 61' ' ' ILE . 32.8 m-85 -83.78 17.77 2.2 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.577 0.227 . . . . 0.0 110.859 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 51.42 37.11 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 0.0 110.305 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' B' ' 59' ' ' TYR . 74.8 mt -64.08 126.72 23.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.409 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -87.44 146.63 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.843 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -49.6 141.4 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.041 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 60.94 38.06 17.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.746 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.5 p -68.53 142.25 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -96.06 87.26 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.697 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 43' ' ' LEU . 9.0 mp -85.76 134.1 33.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.159 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.574 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.3 m170 -96.32 130.37 43.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' B' ' 41' ' ' GLN . 66.2 tp -110.46 120.63 43.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.661 HG22 HD11 ' B' ' 8' ' ' LEU . 58.8 t -96.74 118.62 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.43 136.42 34.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.9 0.381 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -74.68 -23.93 58.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.97 -35.53 34.17 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -59.6 -46.0 90.24 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 109.505 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.6 mptp? -63.47 -40.25 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.24 -37.31 77.23 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.076 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 11' ' ' SER . 49.2 m -60.48 -45.13 94.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.49 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.844 HG21 HD12 ' B' ' 8' ' ' LEU . 10.1 mm -59.34 -39.01 77.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.8 mt -59.48 -45.14 92.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.411 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 68.8 mtm -63.87 -49.21 73.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.698 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.52 -48.01 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.398 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.632 ' SD ' HD13 ' A' ' 43' ' ' ILE . 50.5 ttm -58.18 -45.01 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.642 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 17.6 m-85 -105.0 90.64 3.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 19' ' ' MET . 98.9 Cg_endo -78.36 44.58 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.57 2.18 . . . . 0.0 112.568 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.6 41.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.8 mt -149.06 133.15 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.4 p -62.55 138.73 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.7 -41.76 77.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.7 m -55.87 -46.96 78.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.8 ttmp? -59.63 -45.55 91.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -58.08 -42.35 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.22 -42.9 99.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 26' ' ' SER . 65.4 t -58.22 -52.11 62.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.0 -43.37 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.039 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.18 -47.47 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.554 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.82 -48.22 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 69.2 mm-40 -52.29 -46.3 65.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.685 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 30.4 m120 -64.86 -78.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.36 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 15.9 p-10 166.96 38.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.296 0.373 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 57.75 50.47 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.75 128.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' CB ' HD21 ' B' ' 8' ' ' LEU . 61.2 mt -76.98 -42.92 36.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.698 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -54.2 -47.34 72.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.605 0.24 . . . . 0.0 111.196 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.49 -59.64 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.842 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.52 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.7 m -55.65 -63.75 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.289 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.642 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 66.0 mt -52.3 -42.41 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.796 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -52.3 -41.38 54.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.301 -0.952 . . . . 0.0 110.79 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.628 HD12 ' HE3' ' A' ' 48' ' ' LYS . 39.2 tp -67.36 -43.7 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.307 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -55.64 -45.21 77.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.233 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' B' ' 49' ' ' GLN . 48.4 mt -57.47 -47.14 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.121 0.486 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.628 ' HE3' HD12 ' A' ' 45' ' ' LEU . 60.5 pttt -88.11 42.21 1.05 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.82 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 4.3 tm-20 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.682 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 23.6 ptm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.47 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 18.1 pt20 -85.48 144.91 27.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.753 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -128.82 138.76 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.504 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.433 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.4 m-85 -83.36 145.88 28.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.579 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.443 HG21 HD11 ' B' ' 30' ' ' ILE . 59.5 t -140.61 92.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' B' ' 12' ' ' THR . 39.9 ttpt -93.59 133.86 36.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.634 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -74.57 148.54 40.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.548 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.844 HD12 HG21 ' A' ' 15' ' ' ILE . 25.9 tp -48.27 -34.96 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -66.46 -58.76 4.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.34 64.67 0.01 OUTLIER Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 60.2 tttm -154.15 109.86 3.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.066 0.433 . . . . 0.0 111.369 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.722 HG22 ' HB2' ' B' ' 6' ' ' LYS . 41.4 p -80.92 142.4 33.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.592 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' B' ' 15' ' ' LEU . 48.9 mt -134.44 119.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.681 ' C ' HD22 ' B' ' 15' ' ' LEU . 74.2 m -90.73 133.75 34.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.792 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.681 HD22 ' C ' ' B' ' 14' ' ' THR . 3.7 mm? -133.84 148.58 51.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -96.07 122.45 38.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.817 HG11 HG22 ' B' ' 26' ' ' VAL . 26.7 m -152.84 138.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.968 0.413 . . . . 0.0 111.714 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.88 147.04 53.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.987 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 42.7 t -60.91 -40.47 93.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -87.89 29.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.42 ' OD1' ' ND2' ' B' ' 25' ' ' ASN . 45.0 t0 -91.36 -134.73 0.13 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.08 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.662 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.1 t -161.84 146.43 12.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.719 0.295 . . . . 0.0 111.262 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.8 mm -50.63 -40.19 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.193 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.25 -43.53 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.666 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.662 ' H ' HG23 ' B' ' 22' ' ' THR . 29.6 m-20 -66.07 -44.74 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.548 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.817 HG22 HG11 ' B' ' 17' ' ' VAL . 58.8 t -58.56 -53.57 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.646 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD13 ' B' ' 43' ' ' LEU . 13.1 mptt -63.8 -28.46 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.573 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 46.3 t -60.96 -48.66 80.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.97 -42.61 98.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.566 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.489 HG12 ' HG ' ' B' ' 15' ' ' LEU . 67.9 mt -61.96 -34.72 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.145 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 10.6 tp-100 -61.71 -49.12 77.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.49 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.88 -36.09 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.98 -68.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.087 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -80.07 -41.71 25.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.3 37.0 11.48 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.976 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.01 132.11 28.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.43 0.157 . . . . 0.0 110.798 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -52.03 138.68 52.83 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.592 2.194 . . . . 0.0 112.271 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.65 -45.24 6.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.893 2.395 . . . . 0.0 112.813 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.5 -45.19 94.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.257 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.6 OUTLIER -63.94 -49.91 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.571 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -65.55 131.68 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 111.224 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -116.18 119.64 36.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.691 HD13 ' HE2' ' B' ' 27' ' ' LYS . 17.5 mt -77.51 125.35 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.579 HG21 ' SD ' ' A' ' 19' ' ' MET . 90.8 mt -136.32 134.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.482 0.658 . . . . 0.0 111.835 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD11 ' B' ' 50' ' ' LEU . 38.8 t80 -168.37 142.6 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.236 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.26 22.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 0.0 110.071 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.56 33.31 66.51 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.174 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -152.63 139.49 19.02 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.611 0.243 . . . . 0.0 110.868 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.687 ' HB2' HD13 ' A' ' 47' ' ' LEU . 52.8 tt0 -65.43 126.86 29.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.284 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' B' ' 45' ' ' PHE . 76.8 mt -83.84 130.95 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.911 0.386 . . . . 0.0 111.446 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -81.29 137.48 35.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 53.5 m-20 -59.85 -49.39 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.35 60.94 4.48 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.681 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 5.7 tpm_? -151.68 136.93 17.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.553 ' H ' ' HE ' ' B' ' 54' ' ' ARG . 74.9 p -74.51 149.45 40.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.239 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 61' ' ' ILE . 67.6 mt -57.36 -39.01 75.07 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.15 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -52.83 -36.95 59.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.29 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 60.3 t0 -56.08 -57.15 13.36 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.485 ' HB2' HG13 ' B' ' 61' ' ' ILE . 93.7 m-85 -78.07 13.13 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.237 -0.185 . . . . 0.0 111.469 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 49.0 34.71 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.9 mt -64.95 122.94 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.54 -157.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -93.61 141.54 28.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 50.7 mt-10 58.83 36.72 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -73.7 135.81 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.468 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.5 m -87.75 127.03 35.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.468 HD12 ' C ' ' B' ' 66' ' ' THR . 7.5 mp -116.94 131.82 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.37 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.583 ' CB ' ' HE2' ' A' ' 19' ' ' MET . 40.5 m170 -89.95 129.07 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -113.6 107.91 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.108 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.743 HG13 HD22 ' B' ' 8' ' ' LEU . 96.6 t -93.83 123.25 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.01 135.79 39.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.586 0.231 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.525 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.34 -24.14 66.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 95.4 mt-10 -51.1 -36.68 41.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.4 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -58.3 -47.44 83.67 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 39' ' ' LEU . 93.1 mttt -62.69 -38.92 92.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.051 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.7 tp -58.01 -39.41 78.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.239 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -60.8 -45.04 95.96 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.824 HG21 HD12 ' B' ' 8' ' ' LEU . 16.6 mm -56.88 -39.22 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.697 ' HB3' HD13 ' A' ' 28' ' ' LEU . 74.0 mt -61.56 -45.5 93.87 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.953 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.9 mtp -54.97 -52.55 62.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -71.01 -29.98 66.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.437 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.4 tpp -61.55 -44.14 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.579 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.5 m-85 -120.55 109.69 36.2 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.39 52.36 4.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.746 2.297 . . . . 0.0 112.951 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.45 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 ' HD3' ' A' ' 27' ' ' LYS . 61.6 mt -63.34 133.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.393 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -65.14 142.2 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.58 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -55.94 -41.62 74.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.084 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -60.15 -46.0 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.4 tttt -58.83 -46.79 86.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 16' ' ' LEU . 91.1 mt -57.21 -40.03 76.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.683 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -61.82 -44.28 97.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.365 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 99.8 t -58.74 -48.11 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.2 m-70 -60.97 -39.8 90.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' HIS . 54.9 tp -60.2 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.024 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.83 -45.07 93.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.5 mm-40 -62.21 -47.17 85.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.919 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 74.5 m-20 -79.27 38.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 m120 48.61 41.14 16.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.22 44.32 29.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.453 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -115.18 123.93 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 8' ' ' LEU . 83.5 mt -75.23 -40.74 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -58.68 -43.22 89.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.511 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -74.08 -53.19 10.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 111.345 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 31' ' ' HIS . 92.8 m -55.61 -55.96 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 64.8 mt -61.63 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.48 33.35 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.574 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -69.51 -44.25 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.218 0.532 . . . . 0.0 110.087 179.252 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 42' ' ' THR . 88.4 mt -62.51 -38.22 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.514 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' HB3' ' B' ' 49' ' ' GLN . 61.6 mt -50.69 -45.45 58.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.025 0.44 . . . . 0.0 110.299 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -83.24 43.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.642 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 87.8 tt0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.646 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.998 0.428 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.96 148.76 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 HG21 ' B' ' 17' ' ' VAL . 46.1 pt -136.59 134.83 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.725 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.3 m-85 -79.66 142.51 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.439 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 48.8 t -137.97 77.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.936 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.491 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 60.7 tttm -75.04 124.73 27.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -75.05 149.16 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.959 HD22 HG13 ' B' ' 70' ' ' VAL . 25.2 tp -50.85 -37.72 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -67.6 -56.19 10.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.4 -41.37 0.24 Allowed Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.97 126.88 19.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.305 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 62.8 m -100.74 138.53 37.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' B' ' 15' ' ' LEU . 56.3 mt -129.15 130.15 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.646 ' C ' HD22 ' B' ' 15' ' ' LEU . 48.7 m -106.93 134.96 49.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.351 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' B' ' 14' ' ' THR . 3.2 mm? -131.06 144.68 51.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 111.033 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -91.56 128.57 37.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.529 HG21 HD13 ' B' ' 3' ' ' ILE . 29.7 m -152.48 134.31 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 111.373 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.5 tp10 -66.35 154.92 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.406 ' HA ' ' HE1' ' B' ' 1' ' ' MET . 78.8 p -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.447 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 80.3 p -90.31 35.1 0.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 32.4 t70 -78.22 -130.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.305 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.551 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.1 t -176.93 139.41 0.28 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.624 0.25 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.518 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.5 mm -53.58 -40.57 42.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' GLY . 8.1 t70 -53.54 -45.06 69.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.555 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 26.3 t-20 -60.98 -40.32 92.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.465 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.4 t -56.39 -49.81 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.663 ' HZ1' ' H ' ' B' ' 43' ' ' LEU . 66.3 mttm -61.47 -37.23 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -58.3 -50.15 74.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.2 mttm -61.23 -45.09 95.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.0 mt -58.04 -39.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.253 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 14.7 tt0 -61.99 -43.58 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.85 -43.75 97.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.7 mtpm? -69.88 -67.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.57 -42.67 74.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.25 40.7 6.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.044 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.501 HG21 ' CD1' ' B' ' 71' ' ' LEU . 74.4 mt -112.96 134.59 21.75 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.159 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 71.7 Cg_exo -51.17 139.7 42.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.427 2.084 . . . . 0.0 112.113 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 21.0 Cg_endo -60.75 -38.8 68.29 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.813 2.342 . . . . 0.0 112.696 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -57.25 -46.46 83.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.525 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -57.22 7.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.793 ' HB2' HD11 ' B' ' 69' ' ' LEU . 18.2 pt20 -62.16 142.64 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HZ1' ' B' ' 27' ' ' LYS . 54.5 ttp180 -142.91 125.69 16.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.663 ' H ' ' HZ1' ' B' ' 27' ' ' LYS . 90.8 mt -82.94 137.22 34.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 43' ' ' ILE . 87.7 mt -127.09 142.48 43.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -165.46 149.97 8.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.973 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.62 33.28 18.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.03 32.47 76.98 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.704 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -172.55 145.56 1.6 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 117.241 0.521 . . . . 0.0 111.218 179.009 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' HD13 ' A' ' 47' ' ' LEU . 19.4 pt20 -58.94 130.5 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.367 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' B' ' 45' ' ' PHE . 97.1 mt -76.37 135.28 39.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.41 134.38 48.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.17 144.08 55.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 85.71 -26.94 5.56 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.873 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.518 ' O ' HG12 ' B' ' 23' ' ' ILE . 7.6 tpt180 -65.16 132.74 49.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.694 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -69.34 149.38 48.49 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 112.143 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.426 HD23 HD12 ' B' ' 61' ' ' ILE . 41.2 mt -57.05 -43.74 82.31 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -53.33 -35.89 60.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.083 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -55.48 -52.09 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.632 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.597 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.0 m-85 -79.91 13.33 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.87 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 50.37 37.34 15.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 0.0 110.053 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.8 mt -62.81 125.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.71 148.59 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.442 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.716 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 86.4 tttt -50.3 141.51 11.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.716 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 56.5 mt-10 61.7 40.83 12.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -68.46 135.96 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.537 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 47.0 m -80.98 83.11 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.7 mt -84.86 131.28 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.035 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -100.54 128.06 46.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.079 0.466 . . . . 0.0 112.136 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 41' ' ' GLN . 61.4 tp -100.78 134.01 44.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.997 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.959 HG13 HD22 ' B' ' 8' ' ' LEU . 88.5 t -136.7 128.63 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.529 ' N ' HD22 ' B' ' 71' ' ' LEU . 2.8 mm? -81.96 140.22 34.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.275 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.725 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.449 HD22 ' CD2' ' A' ' 9' ' ' HIS . 49.3 t30 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -151.63 -39.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.328 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -150.67 39.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.372 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.449 ' CD2' HD22 ' A' ' 6' ' ' ASN . 0.3 OUTLIER -76.9 -24.5 52.52 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.401 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.9 mp0 -51.2 -40.7 59.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG12 ' A' ' 15' ' ' ILE . 60.4 m -59.39 -46.29 89.1 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 39' ' ' LEU . 89.9 mttt -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.709 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 57.4 tp -59.7 -38.77 82.5 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.389 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -60.59 -44.77 95.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.001 HG21 HD12 ' B' ' 8' ' ' LEU . 19.4 mm -55.86 -40.95 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.237 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.1 mt -62.61 -44.27 96.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.1 mtt -54.71 -49.96 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.12 -31.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.838 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.2 tpp -62.56 -38.56 90.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.87 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 11.2 m-85 -127.52 98.46 28.74 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.35 50.25 3.3 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.607 2.205 . . . . 0.0 112.53 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -163.53 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.474 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 27' ' ' LYS . 65.2 mt -61.41 131.59 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -66.17 142.76 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.629 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -53.35 -35.25 60.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 m -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 23' ' ' ILE . 24.6 ttmm -62.87 -44.34 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.776 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 95.0 mt -57.0 -44.38 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 64.6 tt0 -65.54 -43.31 90.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.24 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 26' ' ' SER . 92.6 t -60.67 -56.55 17.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.776 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.7 p80 -61.4 -42.91 99.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 47.7 tp -57.07 -47.7 80.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.393 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -61.39 -48.64 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.692 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.19 -45.5 91.46 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -77.74 33.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 47.41 41.8 13.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.737 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 55.71 38.94 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.681 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' HA3' ' B' ' 76' ' ' GLY . 64.6 t0 -93.21 131.02 38.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.734 0.302 . . . . 0.0 110.831 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.712 HD13 HD11 ' B' ' 8' ' ' LEU . 87.6 mt -95.95 -43.92 7.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.86 -51.01 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.4 -54.75 11.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 111.797 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.691 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.1 m -54.39 -56.04 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.329 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.6 mt -60.48 -41.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.852 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.05 44.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.005 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD12 ' HD3' ' A' ' 48' ' ' LYS . 62.5 tp -69.87 -38.52 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 110.714 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.5 mt -61.84 -34.67 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.555 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 91.4 mt -56.76 -50.8 71.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.423 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.1 -35.21 79.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.562 -179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 57.4 mm-40 -48.64 -42.59 34.81 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.339 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -79.87 45.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.456 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.12 -51.54 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -176.67 134.98 0.22 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.64 -49.64 67.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.766 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 4.4 pm0 -152.61 142.57 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 pt -118.06 138.94 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.418 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -78.86 145.89 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.98 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.542 HG11 HD13 ' B' ' 30' ' ' ILE . 59.4 t -126.35 84.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.681 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HB2' HG22 ' B' ' 12' ' ' THR . 61.1 tttm -77.84 133.11 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.202 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.2 p -92.2 151.75 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.001 HD12 HG21 ' A' ' 15' ' ' ILE . 19.0 tp -52.56 -36.36 55.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -70.15 -61.48 1.76 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.748 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.8 63.03 0.01 OUTLIER Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.346 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -157.08 123.59 4.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.537 HG22 ' HB2' ' B' ' 6' ' ' LYS . 80.7 p -105.38 137.11 43.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.535 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.535 HG22 ' CD2' ' B' ' 15' ' ' LEU . 70.8 mt -122.0 129.05 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.613 ' C ' HD22 ' B' ' 15' ' ' LEU . 86.8 m -88.19 123.04 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.719 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.613 HD22 ' C ' ' B' ' 14' ' ' THR . 3.0 mm? -124.17 124.54 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.583 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.6 128.03 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.757 HG11 HG22 ' B' ' 26' ' ' VAL . 35.3 m -147.63 138.86 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.12 0.486 . . . . 0.0 111.749 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -70.45 148.38 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.039 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -105.26 36.03 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -83.06 -126.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.544 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.539 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.4 t -169.49 140.55 2.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 54' ' ' ARG . 35.4 mm -56.66 -40.95 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 8.5 t70 -53.82 -42.37 68.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.539 ' H ' HG23 ' B' ' 22' ' ' THR . 54.3 t-20 -58.15 -43.03 87.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.949 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.757 HG22 HG11 ' B' ' 17' ' ' VAL . 52.5 t -58.46 -45.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.747 ' HE3' HD23 ' B' ' 43' ' ' LEU . 64.0 mttp -59.16 -42.05 89.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.475 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -46.33 89.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.093 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.542 HD13 HG11 ' B' ' 5' ' ' VAL . 76.1 mt -57.53 -40.89 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 109.804 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.82 -39.14 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.64 -43.8 97.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.305 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.48 ' NZ ' HD13 ' B' ' 15' ' ' LEU . 98.7 mttt -69.66 -63.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -73.25 -45.83 53.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.9 30.2 9.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.617 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.444 HG21 ' CD2' ' B' ' 71' ' ' LEU . 49.2 mm -101.06 135.0 20.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 46.7 Cg_exo -55.95 136.31 74.14 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.295 1.997 . . . . 0.0 111.864 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.26 -42.01 60.78 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.614 2.21 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -60.14 -43.99 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 11.3 mm100 -64.68 -52.93 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.448 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.7 pt20 -68.87 135.78 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 111.338 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 39.1 mmt180 -110.34 109.53 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 ' HE3' ' B' ' 27' ' ' LYS . 2.9 mm? -81.88 82.69 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 74.8 mt -84.31 143.84 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.652 ' HE2' HG12 ' B' ' 61' ' ' ILE . 18.9 t80 -166.5 141.65 4.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.0 33.7 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.209 0.528 . . . . 0.0 110.275 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.57 71.76 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.598 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.6 ttpm? -173.19 138.94 0.76 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.073 0.436 . . . . 0.0 111.738 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.575 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 18.2 tt0 -59.28 129.56 42.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' B' ' 45' ' ' PHE . 61.6 mt -71.05 134.18 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.612 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.1 mt-10 -66.88 135.15 53.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -66.85 138.6 57.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 73.97 45.09 27.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.974 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.612 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 45.9 mmm-85 -131.2 130.78 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 110.977 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -67.88 144.27 55.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.629 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.452 HD23 HD12 ' B' ' 61' ' ' ILE . 87.4 mt -54.99 -32.5 61.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.45 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.3 p -52.17 -43.66 64.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.99 -53.81 54.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.579 0.228 . . . . 0.0 111.547 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -77.37 -9.5 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 111.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.53 39.02 25.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.773 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.652 HG12 ' HE2' ' B' ' 45' ' ' PHE . 74.1 mt -68.04 125.78 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -76.75 -154.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -102.75 144.21 31.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.677 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.28 36.76 20.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.799 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -68.38 135.23 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.607 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.4 m -87.8 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.461 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -85.87 128.67 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.289 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 43.7 m170 -86.98 144.2 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 111.86 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.515 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.5 tt -126.98 120.77 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.746 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.951 HG13 HD22 ' B' ' 8' ' ' LEU . 95.4 t -117.02 122.13 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' B' ' 36' ' ' ILE . 93.3 mt -73.62 133.06 43.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -74.3 -41.24 61.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.87 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.732 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 61.8 tp -57.32 141.41 47.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.263 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.732 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 29.2 mmm180 59.27 -141.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.121 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.45 -134.55 41.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.177 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.445 ' HA3' ' OD2' ' A' ' 38' ' ' ASP . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.411 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.76 -48.65 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -174.81 54.6 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.597 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.672 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -51.06 -40.56 58.6 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -59.98 -46.03 90.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.981 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.5 mttp -60.94 -38.86 87.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.637 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.36 -41.88 85.73 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.355 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -58.61 -43.72 89.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.126 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.759 HG21 HD23 ' B' ' 8' ' ' LEU . 19.4 mm -58.19 -39.23 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.011 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' HD13 ' A' ' 28' ' ' LEU . 80.1 mt -60.01 -50.59 73.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.218 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.402 ' SD ' ' HE2' ' A' ' 25' ' ' LYS . 78.5 mtm -56.36 -45.74 80.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.66 -33.37 72.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.854 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.6 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 62.2 tpp -64.21 -36.44 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.573 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.688 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.7 m-85 -128.98 108.06 18.16 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.12 54.86 5.41 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.654 2.236 . . . . 0.0 113.046 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.37 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.657 HG23 ' HD3' ' A' ' 27' ' ' LYS . 53.7 mt -61.86 133.63 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.516 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -69.72 147.25 50.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 17' ' ' MET . 40.7 ttmt -54.52 -39.74 67.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.6 p -58.65 -49.51 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.214 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.1 tttp -59.91 -47.36 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.5 mt -58.43 -41.12 84.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.511 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp60 -59.65 -44.06 93.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 97.5 t -60.0 -47.67 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -60.49 -43.99 96.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -61.98 -44.51 96.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.199 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.1 mm-40 -61.29 -49.14 78.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -83.72 27.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.045 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 64.57 -72.96 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.989 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -162.09 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -39.27 123.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.11 0.481 . . . . 0.0 111.751 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 12' ' ' LYS . 81.7 mt -85.22 -42.23 14.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.355 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 8.1 t70 -59.36 -41.64 89.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.139 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 5.6 tt -68.21 -56.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.517 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' HD23 ' A' ' 46' ' ' LEU . 92.0 m -57.1 -64.38 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.688 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.1 mt -55.56 -38.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.801 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.09 -47.96 53.64 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.674 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.5 tp -67.12 -38.32 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 42' ' ' THR . 4.2 mm? -55.72 -45.12 77.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD13 ' HB3' ' B' ' 49' ' ' GLN . 52.3 mt -54.13 -50.68 66.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.252 0.549 . . . . 0.0 109.819 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.766 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 38.1 ttpt -80.83 43.0 0.66 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.11 -46.84 87.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.05 39.74 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.766 ' HB2' ' HG2' ' A' ' 48' ' ' LYS . 36.0 t70 -65.68 -45.48 82.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.714 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 63.97 129.89 0.02 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -66.48 128.6 36.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' H ' ' NZ ' ' A' ' 53' ' ' LYS . 83.2 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.201 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.504 ' HE3' ' HA ' ' B' ' 63' ' ' LYS . 26.6 ttt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.863 0.364 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.01 149.86 25.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.7 pt -136.77 133.97 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -92.34 148.09 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.384 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.917 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.2 t -131.89 78.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.108 0.48 . . . . 0.0 110.531 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.9 tttt -65.28 124.41 22.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.373 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.54 152.68 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.969 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.936 HD11 HG13 ' B' ' 70' ' ' VAL . 95.3 mt -51.3 -35.28 37.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -62.92 -59.72 4.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.575 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.02 57.53 0.01 OUTLIER Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.262 -0.97 . . . . 0.0 113.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -161.76 123.14 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 111.128 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.599 HG22 ' HB2' ' B' ' 6' ' ' LYS . 79.0 p -88.76 132.45 34.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.345 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.917 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 74.3 mt -98.41 123.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -90.48 133.97 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' B' ' 33' ' ' LYS . 81.2 mt -149.39 141.34 23.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -95.32 127.38 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.268 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.43 HG21 HD13 ' B' ' 3' ' ' ILE . 27.5 m -153.77 142.95 14.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.675 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 4.6 mm-40 -66.42 146.44 54.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.795 ' HA ' HD12 ' B' ' 56' ' ' LEU . 79.2 p -62.01 -34.43 76.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -95.87 29.95 2.54 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -84.29 -123.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.63 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.0 t -171.72 141.35 1.42 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.0 111.036 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.664 HD12 HD13 ' B' ' 50' ' ' LEU . 50.8 mm -53.84 -40.66 45.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.28 -46.07 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.63 ' H ' HG23 ' B' ' 22' ' ' THR . 53.6 t-20 -60.78 -41.83 96.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 30' ' ' ILE . 86.1 t -58.03 -49.74 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HE3' HD13 ' B' ' 43' ' ' LEU . 61.4 mttp -59.22 -39.67 83.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.567 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -59.5 -44.9 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.361 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.35 -40.83 96.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.43 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 26' ' ' VAL . 91.5 mt -62.46 -38.99 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.659 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.401 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 59.9 tt0 -65.42 -46.27 80.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.518 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.89 -45.92 73.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.864 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.526 ' HD3' HD21 ' B' ' 15' ' ' LEU . 65.1 tttp -67.88 -61.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.21 -37.54 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.791 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.84 47.84 5.16 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.66 133.72 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.498 0.19 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.2 Cg_endo -55.86 137.21 78.04 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.549 2.166 . . . . 0.0 112.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.4 Cg_endo -59.76 -33.3 96.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.735 2.29 . . . . 0.0 112.394 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -57.25 -46.15 83.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.62 -56.89 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.422 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.1 pt20 -67.14 141.58 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.243 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -138.76 120.78 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 8.5 mp -82.28 137.62 34.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.449 HD13 HD21 ' A' ' 47' ' ' LEU . 79.4 mt -130.27 142.61 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.143 0.496 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.9 t80 -161.48 140.06 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.569 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 32.91 22.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.91 26.67 74.49 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.66 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD22 ' A' ' 47' ' ' LEU . 32.5 mtmm -157.34 141.22 16.01 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.006 0.403 . . . . 0.0 111.576 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.582 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.2 pm0 -61.18 136.34 58.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.664 HD13 HD12 ' B' ' 23' ' ' ILE . 88.9 mt -64.22 129.76 41.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.8 mt-10 -74.28 132.32 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.85 137.67 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.45 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 72.41 46.89 31.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.564 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.571 ' O ' HG12 ' B' ' 23' ' ' ILE . 50.8 mmt-85 -138.49 133.54 32.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -63.31 148.72 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.4 mt -54.53 -37.05 64.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.2 t -54.81 -26.91 38.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.585 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.32 -57.26 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.419 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.416 ' OH ' ' HG3' ' B' ' 51' ' ' GLU . 13.2 m-85 -85.74 31.91 0.6 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.44 35.82 11.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.422 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.556 HG23 ' OG ' ' B' ' 65' ' ' SER . 72.1 mt -72.55 121.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -89.64 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' B' ' 1' ' ' MET . 24.1 pttm -179.93 140.74 0.14 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 61.02 41.27 14.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.556 ' OG ' HG23 ' B' ' 61' ' ' ILE . 60.0 m -74.25 139.37 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 71.3 m -85.72 88.9 7.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.204 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 75.6 mt -86.09 134.5 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.6 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 13.7 m-70 -94.72 133.01 38.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.702 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.5 tt -107.79 135.23 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.606 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.936 HG13 HD11 ' B' ' 8' ' ' LEU . 99.2 t -135.11 125.8 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.07 141.85 35.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HA ' ' OD2' ' A' ' 40' ' ' ASP . 71.4 ttt180 -65.56 165.23 12.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.644 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 63.0 tp -60.93 134.83 57.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.644 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 38.7 mmt180 64.31 133.34 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.19 -133.92 2.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.418 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.534 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 15.2 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.683 0.277 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' ASN . 55.1 m-20 75.78 -47.19 0.57 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.523 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 42.39 34.97 0.57 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.369 . . . . 0.0 111.287 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -73.38 -23.64 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 68.8 mm-40 -49.9 -39.09 38.62 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.503 ' OG ' ' HD2' ' A' ' 12' ' ' LYS . 91.8 p -61.11 -49.7 76.22 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.825 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.6 -37.55 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.561 178.333 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.598 ' HA ' HD12 ' A' ' 16' ' ' LEU . 54.4 tp -61.35 -40.22 93.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.969 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -59.84 -49.66 76.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.593 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.843 HG21 HD12 ' B' ' 8' ' ' LEU . 1.8 mp -58.81 -37.93 69.42 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 13' ' ' LEU . 86.7 mt -60.66 -44.7 96.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.787 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.5 mtp -57.98 -50.8 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.65 -29.34 65.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.533 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 63.5 tpp -63.97 -41.12 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.032 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 13.1 m-85 -123.1 97.48 43.31 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.54 51.11 3.18 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.055 2.503 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.74 -39.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.458 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 27' ' ' LYS . 70.0 mt -62.01 132.31 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -64.2 140.77 58.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.513 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -50.85 -37.16 41.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -59.19 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.0 tttp -58.95 -43.31 91.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.999 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.787 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -57.79 -47.3 82.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.3 tt0 -64.02 -40.13 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.669 0.271 . . . . 0.0 111.197 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 26' ' ' SER . 85.7 t -61.77 -57.98 9.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.787 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 7.1 p80 -60.15 -41.84 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.109 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 40.8 tp -58.0 -47.05 84.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.29 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.1 mt -61.84 -46.22 90.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.451 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 4.8 mm-40 -65.31 -43.75 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.286 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -81.23 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 44.79 36.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.883 178.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 74.5 m-20 54.54 45.01 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.01 129.79 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.872 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 12' ' ' LYS . 75.7 mt -83.67 -54.0 5.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.886 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 62.8 t0 -57.5 -47.47 81.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -65.11 -64.05 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.073 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.5 m -52.14 -63.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.402 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.64 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 69.9 mt -52.18 -36.72 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.98 59.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.086 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 41' ' ' LEU . 10.0 mp -66.9 -40.23 87.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.607 0.241 . . . . 0.0 110.538 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 46' ' ' LEU . 4.0 mm? -55.54 -42.62 74.86 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' B' ' 48' ' ' LYS . 34.5 mt -55.37 -39.0 69.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.017 0.437 . . . . 0.0 110.19 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.93 39.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.38 -53.57 9.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.297 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -90.07 41.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.663 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -176.15 133.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -171.09 132.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.413 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 3.6 mptp? -68.9 -44.6 72.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.909 -179.786 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.919 0.39 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HB2' ' OE2' ' B' ' 64' ' ' GLU . 13.4 mp0 -69.04 148.89 49.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.797 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.536 HD13 HG21 ' B' ' 17' ' ' VAL . 35.3 pt -135.45 132.18 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.256 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.6 m-85 -79.09 143.22 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.4 t -130.77 78.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.588 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 55.2 tttm -75.5 127.7 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' LYS . 81.7 p -86.89 144.82 26.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.046 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.927 HD13 HG12 ' B' ' 70' ' ' VAL . 29.1 tp -52.84 -36.92 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -66.46 -60.49 2.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.68 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.64 63.07 0.01 OUTLIER Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' O ' HG23 ' B' ' 7' ' ' THR . 87.2 tttt -164.68 116.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.96 0.38 . . . . 0.0 111.125 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.0 m -99.51 139.72 34.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.45 HG21 ' HG2' ' B' ' 33' ' ' LYS . 54.1 mt -133.61 126.67 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.624 ' O ' HD13 ' B' ' 15' ' ' LEU . 89.2 m -99.16 130.12 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.679 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' B' ' 14' ' ' THR . 2.4 mm? -133.83 139.71 46.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.505 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 87.8 tt0 -76.97 134.36 38.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.536 HG21 HD13 ' B' ' 3' ' ' ILE . 30.4 m -147.79 137.76 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.901 0.381 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.523 ' HG2' ' H ' ' B' ' 20' ' ' SER . 43.7 tt0 -66.69 146.7 54.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.745 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -55.02 -40.49 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.932 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 78.1 p -92.39 36.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.386 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.607 ' O ' HG22 ' B' ' 55' ' ' THR . 57.1 p-10 -80.52 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.765 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.716 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.3 t -175.94 143.7 0.58 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 50' ' ' LEU . 50.7 mm -50.63 -42.94 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.28 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.35 -42.99 78.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.716 ' H ' HG23 ' B' ' 22' ' ' THR . 52.9 t-20 -59.36 -44.72 92.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 30' ' ' ILE . 51.4 t -56.57 -39.84 65.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.854 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.617 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 34.8 mmtp -59.55 -47.35 85.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.972 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t -55.82 -44.33 77.79 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HB3' ' B' ' 15' ' ' LEU . 28.3 mtpp -60.24 -43.93 95.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.8 mt -58.45 -40.46 78.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.34 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 9.2 mm100 -60.41 -49.55 77.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.36 0.6 . . . . 0.0 109.934 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.98 -29.91 67.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.183 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HG2' HG21 ' B' ' 13' ' ' ILE . 26.4 tptp -79.01 -40.1 32.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.542 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.4 -32.19 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.52 51.06 5.38 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 41' ' ' GLN . 66.2 mt -88.28 134.18 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.485 0.183 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 56.4 Cg_exo -51.44 138.89 47.05 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.316 2.011 . . . . 0.0 111.799 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.1 -47.52 19.86 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.473 2.116 . . . . 0.0 112.597 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.18 -40.45 94.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.4 tp60 -58.64 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.359 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.884 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.6 pt20 -74.74 146.28 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.445 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.627 ' HB3' HG23 ' B' ' 70' ' ' VAL . 14.2 tpp85 -144.98 119.96 10.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 50.4 mt -85.78 119.23 25.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 112.294 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 47' ' ' LEU . 89.5 mt -115.42 143.38 25.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.485 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.633 ' HB3' HD21 ' B' ' 50' ' ' LEU . 30.7 t80 -165.45 145.77 6.91 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.43 -34.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 165.18 -15.05 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.793 ' HA ' HD22 ' A' ' 47' ' ' LEU . 63.1 pttt -159.28 170.71 21.28 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.066 0.46 . . . . 0.0 112.002 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 55.6 tt0 -52.25 135.8 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.181 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' B' ' 45' ' ' PHE . 75.2 mt -82.87 35.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.322 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 23' ' ' ILE . 55.6 mt-10 51.16 -167.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 111.31 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.28 42.35 2.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.233 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.31 54.14 0.05 OUTLIER Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.423 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.6 mmm180 -148.05 135.14 20.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.14 0.495 . . . . 0.0 111.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.607 HG22 ' O ' ' B' ' 21' ' ' ASP . 40.9 p -65.46 141.86 58.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.605 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.498 ' CD2' HD12 ' B' ' 61' ' ' ILE . 71.7 mt -49.72 -24.51 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -56.87 -46.73 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 55' ' ' THR . 2.9 p-10 -59.62 -50.57 73.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.288 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.39 -16.93 63.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.637 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.93 40.58 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.317 0.579 . . . . 0.0 109.766 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.503 HD11 HD13 ' B' ' 50' ' ' LEU . 70.3 mt -67.49 125.24 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.466 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -75.97 155.71 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.777 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -62.53 147.17 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.742 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' B' ' 2' ' ' GLN . 43.3 mm-40 62.57 35.1 14.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.984 0.421 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -77.81 139.74 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.257 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 87.1 m -91.25 96.83 10.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.613 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -87.5 134.31 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.533 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 44.7 m170 -90.64 140.17 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 41' ' ' GLN . 47.4 tp -121.44 83.29 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.927 HG12 HD13 ' B' ' 8' ' ' LEU . 19.3 m -71.47 133.66 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.51 134.56 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 50.5 ttt-85 -67.13 133.14 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.4 132.3 53.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.761 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -173.63 46.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.12 -44.7 96.81 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.591 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.592 0.234 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 t70 69.3 138.12 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.06 40.03 0.2 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.022 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -24.61 65.44 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.45 -35.6 40.32 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.793 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 14' ' ' SER . 39.1 t -59.73 -44.6 93.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.775 ' HB3' HD21 ' A' ' 39' ' ' LEU . 41.8 mmtm -62.01 -43.58 98.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.82 -37.66 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.412 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -61.65 -43.89 98.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.451 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG21 ' CD2' ' B' ' 8' ' ' LEU . 22.2 mm -56.33 -44.5 79.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.623 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.78 ' HB3' HD22 ' A' ' 28' ' ' LEU . 95.3 mt -59.18 -45.44 91.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.352 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.1 mtp -56.17 -52.84 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 61.4 t0 -73.26 -30.22 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 54.6 tpp -59.88 -37.45 79.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -128.82 106.58 18.45 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.91 51.62 3.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.937 2.425 . . . . 0.0 112.69 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.93 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.7 mt -66.3 132.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.144 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -57.71 138.83 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.228 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.38 -30.57 60.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.4 t -54.15 -48.04 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.442 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.62 -51.03 64.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.688 0.28 . . . . 0.0 111.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 16' ' ' LEU . 87.6 mt -49.54 -42.14 43.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.101 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -69.44 -44.01 72.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 26' ' ' SER . 75.2 t -62.88 -53.64 44.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.475 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' HB3' HG23 ' A' ' 42' ' ' THR . 86.7 m-70 -58.5 -43.68 89.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.45 -50.63 73.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.268 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.82 -45.59 93.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 67.0 mm-40 -63.17 -48.78 76.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.64 37.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 48.34 48.65 18.8 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 111.115 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 42.06 41.3 1.94 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.038 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -95.18 128.26 41.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.54 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 12' ' ' LYS . 85.2 mt -77.89 -49.63 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.507 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.16 -44.38 92.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.73 -59.41 3.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.646 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.4 m -56.39 -63.34 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.329 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.0 mt -56.0 -38.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.31 -47.55 61.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.051 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.3 tm? -69.45 -38.95 78.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 42' ' ' THR . 4.3 mm? -55.3 -45.51 76.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.86 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD12 ' NH2' ' B' ' 42' ' ' ARG . 74.4 mt -56.6 -35.39 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.095 0.474 . . . . 0.0 110.295 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.08 -31.96 72.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.812 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -46.07 -50.89 14.68 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.72 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' OD1' ' HD3' ' B' ' 48' ' ' LYS . 18.1 p30 -69.62 -133.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.793 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 79.5 m-20 71.79 -24.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 50' ' ' ASN . 55.7 m-20 -81.98 135.48 35.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.475 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -169.57 -43.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 179.001 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.496 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.8 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.922 0.391 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.561 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.6 pm0 -71.94 146.54 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.482 HD13 HG21 ' B' ' 17' ' ' VAL . 38.1 pt -130.74 136.6 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.9 m-85 -88.04 146.8 25.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.468 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 57.9 t -146.41 77.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.289 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.0 tttt -71.73 135.31 46.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -82.11 142.05 32.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.545 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG13 ' B' ' 70' ' ' VAL . 78.5 mt -42.6 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.783 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p 48.37 66.35 1.09 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.971 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.46 -67.9 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.611 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' B' ' 11' ' ' LYS . 5.3 tmtm? -172.88 139.28 0.85 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.201 0.501 . . . . 0.0 111.542 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.93 HG22 ' HB2' ' B' ' 6' ' ' LYS . 67.2 p -81.44 124.21 29.24 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.127 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' B' ' 15' ' ' LEU . 35.5 mm -94.18 136.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.329 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.571 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -115.65 128.43 55.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.768 0.318 . . . . 0.0 111.847 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.571 HD22 ' C ' ' B' ' 14' ' ' THR . 2.9 mm? -130.81 140.87 50.31 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.07 123.46 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG22 ' B' ' 26' ' ' VAL . 22.0 m -150.37 134.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.136 0.493 . . . . 0.0 111.563 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.84 152.2 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -77.35 43.54 0.39 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.042 0.449 . . . . 0.0 110.44 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -168.58 49.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.499 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.595 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 8.1 t70 -139.66 141.97 37.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.871 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.474 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.0 t -69.39 145.94 52.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.67 -41.91 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.55 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -51.17 -44.07 61.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.595 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 15.3 t-20 -55.58 -44.75 77.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.02 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.711 HG22 HG11 ' B' ' 17' ' ' VAL . 60.5 t -60.97 -40.09 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.363 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.555 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -58.46 -42.27 87.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.511 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -64.42 -45.23 88.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.932 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.4 mttm -59.44 -47.36 85.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.453 HD12 HD21 ' B' ' 43' ' ' LEU . 73.5 mt -63.59 -39.71 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.21 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.07 -40.95 78.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.406 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.37 -68.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.955 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.55 -39.38 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.858 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.55 13.6 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.12 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -94.97 133.74 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.417 0.151 . . . . 0.0 110.78 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.97 137.12 68.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.063 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.63 -42.3 66.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.651 2.234 . . . . 0.0 112.549 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.62 -42.87 81.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -63.74 -48.89 75.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.682 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.613 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -64.2 136.39 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 111.274 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.688 ' NH2' HD12 ' A' ' 47' ' ' LEU . 72.0 mtp180 -134.86 81.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 5.8 mp -69.55 86.6 0.46 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.368 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 47' ' ' LEU . 68.2 mt -82.13 141.25 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.177 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.63 ' HE2' HG12 ' B' ' 61' ' ' ILE . 22.6 t80 -161.75 140.32 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.594 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.41 31.74 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.214 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 16.45 76.71 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 113.894 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.575 ' HD3' ' OD1' ' A' ' 50' ' ' ASN . 36.9 ttpt -173.27 144.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.564 0.682 . . . . 0.0 112.238 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 33.8 mt-30 -54.97 133.11 48.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.537 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 45' ' ' PHE . 77.4 mt -68.39 130.1 41.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 50.9 mt-10 -60.73 137.9 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.409 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 15.4 m-20 -79.94 50.35 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 23' ' ' ILE . 73.0 mtt-85 -152.4 134.68 15.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -67.6 148.67 51.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.081 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.477 HD23 HD12 ' B' ' 61' ' ' ILE . 86.6 mt -50.7 -33.26 22.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.999 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -56.69 -39.28 73.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.543 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 33.5 t70 -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.335 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.544 ' HB2' HG13 ' B' ' 61' ' ' ILE . 23.6 m-85 -75.99 -10.4 59.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.709 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.448 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 60.47 40.94 16.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 -178.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.63 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.4 mt -64.07 125.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.397 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.3 146.47 30.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -51.44 141.27 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' B' ' 2' ' ' GLN . 56.0 mt-10 61.96 40.01 12.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.03 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.48 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 91.5 m -84.83 86.14 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 7.3 mp -85.9 139.51 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.538 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.507 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 40.9 m170 -95.49 141.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 41' ' ' GLN . 65.5 tp -121.34 119.83 33.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.487 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.733 HG13 HD11 ' B' ' 8' ' ' LEU . 84.8 t -113.78 125.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.539 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.5 mp -98.45 130.22 45.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.89 131.01 41.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 tp -81.55 56.79 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' B' ' 74' ' ' ARG . 68.3 mtt-85 -143.52 137.46 28.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.32 -133.52 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.67 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.499 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.31 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -170.16 -30.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -166.5 43.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.307 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.45 -25.48 67.26 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 50.4 mt-10 -52.04 -37.25 52.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.317 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -58.52 -51.46 69.79 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.957 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.2 mttp -59.62 -37.62 79.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.318 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 17' ' ' MET . 60.0 tp -60.65 -39.89 89.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.836 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -61.17 -45.3 95.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.795 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.79 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.85 -42.76 82.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.588 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.691 ' HB3' HD13 ' A' ' 28' ' ' LEU . 82.1 mt -62.27 -45.29 93.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.587 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 63.3 mtm -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 0.0 111.223 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.1 -40.51 86.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.652 ' HE1' HD13 ' A' ' 43' ' ' ILE . 54.5 ttm -63.55 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.001 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 30.3 m-85 -124.48 71.36 57.13 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.068 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.23 -40.7 69.05 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.386 2.057 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.31 84.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.516 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.3 mt -70.94 133.34 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 111.4 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -66.55 140.42 57.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -58.48 -29.96 66.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.347 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 48.4 t -55.18 -48.61 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -62.86 -49.47 74.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 16' ' ' LEU . 86.5 mt -57.27 -38.17 73.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.819 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.94 -43.03 94.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.397 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' SER . 90.8 t -58.1 -47.68 86.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -62.68 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 9' ' ' HIS . 34.7 tp -62.49 -45.34 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.24 -48.24 79.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -60.84 -49.53 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -83.95 28.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 65.41 -71.0 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.203 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' LYS . 16.3 p-10 -177.09 32.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.184 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.77 134.15 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.96 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 12' ' ' LYS . 89.8 mt -100.46 -49.25 4.29 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -56.08 -50.08 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.6 tt -63.69 -57.06 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.623 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -54.41 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.652 HD13 ' HE1' ' A' ' 19' ' ' MET . 71.1 mt -53.81 -38.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.87 -46.59 60.36 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.488 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 tp -70.41 -37.32 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.8 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 42' ' ' THR . 4.6 mm? -59.03 -43.81 91.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.297 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.5 mt -52.86 -49.52 65.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -81.47 40.78 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -66.46 -51.83 52.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -66.39 -44.1 84.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.09 134.09 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.43 137.5 58.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -59.65 143.41 50.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.242 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.93 -179.684 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.576 ' HA ' ' NZ ' ' B' ' 63' ' ' LYS . 27.4 ttt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 3.6 pm0 -151.14 151.51 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.741 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.77 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -124.97 133.98 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.414 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 3.0 m-85 -78.33 99.92 6.54 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.528 ' CG2' HD23 ' B' ' 15' ' ' LEU . 52.5 t -78.01 82.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.752 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.645 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 62.8 tttp -80.04 132.71 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.754 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -96.88 147.54 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.928 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 15' ' ' ILE . 60.5 mt -49.02 -32.65 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.707 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.5 m -62.93 -53.96 45.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.33 -38.37 0.41 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.07 135.52 31.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.946 0.403 . . . . 0.0 112.013 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 59.7 p -118.81 87.42 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.636 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.04 116.88 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.187 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.444 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -84.14 128.53 34.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' B' ' 5' ' ' VAL . 4.5 mm? -117.98 142.47 47.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.234 0.54 . . . . 0.0 111.055 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 41.6 tt0 -84.75 124.56 31.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.795 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 1.029 HG21 HG22 ' B' ' 26' ' ' VAL . 2.9 p -164.1 132.8 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.412 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.475 ' O ' HD12 ' B' ' 56' ' ' LEU . 30.3 mt-10 -87.0 147.64 25.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.899 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.625 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 41.3 t -76.62 30.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 18' ' ' GLU . 79.8 p -124.98 -29.21 3.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -61.2 -113.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.695 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.0 t -170.12 146.32 2.98 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.272 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.44 -40.12 23.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -55.51 -42.24 74.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.695 ' H ' HG23 ' B' ' 22' ' ' THR . 20.0 t-20 -62.11 -41.41 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.588 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 1.029 HG22 HG21 ' B' ' 17' ' ' VAL . 39.5 t -56.7 -49.16 79.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.004 0.431 . . . . 0.0 110.225 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 98.9 mttt -62.43 -38.56 90.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -57.82 -42.67 84.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.816 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.3 mtpm? -62.58 -41.96 99.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.594 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -58.41 -36.12 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.085 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 2.6 mm100 -64.81 -50.18 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.451 0.644 . . . . 0.0 110.525 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -56.21 -42.86 77.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.785 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.72 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.66 -41.98 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.09 44.47 44.87 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.29 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.77 134.11 21.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.336 0.112 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 87.9 Cg_exo -47.23 133.87 19.39 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.446 2.097 . . . . 0.0 112.105 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -56.83 -45.84 33.67 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 0.0 112.683 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.8 -43.41 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 53.6 tt0 -67.07 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.404 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.45 138.46 58.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.05 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -146.13 106.95 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.1 mm? -75.66 116.23 16.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 96.9 mt -103.93 142.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.105 0.479 . . . . 0.0 111.726 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.731 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.4 t80 -160.34 144.49 14.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.814 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.71 35.2 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 110.541 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.08 28.51 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.809 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.598 ' HA ' HD22 ' A' ' 47' ' ' LEU . 28.7 ttpp -173.02 138.69 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.25 0.525 . . . . 0.0 111.889 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 60.6 tt0 -58.22 127.33 31.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.725 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' B' ' 45' ' ' PHE . 45.1 mt -72.39 126.3 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.16 126.39 29.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.55 132.51 47.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.8 -35.02 3.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.471 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -67.21 -140.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -150.24 147.02 27.18 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' B' ' 61' ' ' ILE . 83.6 mt -52.98 -44.34 67.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -60.87 -36.53 79.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -53.91 -53.9 46.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.612 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.528 ' CD2' HD22 ' B' ' 50' ' ' LEU . 6.2 m-85 -80.84 23.56 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 48.48 35.42 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.214 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.1 mt -68.7 124.43 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.964 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' B' ' 65' ' ' SER . 19.2 pt20 -87.87 147.99 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 59.6 tttp -53.76 142.03 24.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.733 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.6 mt-10 61.33 37.64 16.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 86.6 p -72.72 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.656 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.545 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.7 m -161.46 126.64 3.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.047 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' B' ' 66' ' ' THR . 5.3 mp -122.86 134.91 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.645 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 47.7 m170 -89.14 104.1 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 111.465 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 41' ' ' GLN . 4.9 tt -75.98 79.91 2.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.747 HG22 HD21 ' B' ' 8' ' ' LEU . 85.8 t -78.33 133.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.52 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.4 mp -90.48 138.44 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.7 -61.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.58 HD13 ' N ' ' B' ' 74' ' ' ARG . 0.9 OUTLIER -63.23 132.85 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.529 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.58 ' N ' HD13 ' B' ' 73' ' ' LEU . 74.1 mtp180 -51.15 -50.91 58.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.463 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.467 ' H ' ' CD1' ' B' ' 73' ' ' LEU . . . 70.39 136.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.618 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.595 -179.892 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.9 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.97 0.414 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -176.35 -44.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.24 45.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.12 -23.52 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.6 pm0 -50.36 -37.21 35.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.638 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 44.0 t -61.68 -47.11 86.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.763 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -58.12 -37.18 74.1 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.092 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 52.2 tp -62.06 -38.86 90.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.632 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -59.69 -49.05 79.26 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.7 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.72 -37.78 61.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.729 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.8 mt -60.93 -45.6 94.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.7 mtt -57.3 -50.4 73.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.23 -31.9 68.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE3' HD13 ' A' ' 43' ' ' ILE . 59.3 tpp -63.07 -38.35 90.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.884 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 8.5 m-85 -126.09 103.43 26.71 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.36 49.87 3.35 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.767 2.312 . . . . 0.0 112.847 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.36 -44.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.592 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD13 HD12 ' A' ' 46' ' ' LEU . 68.0 mt -59.41 133.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.313 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p -62.84 141.76 58.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.249 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -58.82 -47.43 84.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.3 tttp -58.8 -46.99 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -58.61 -41.07 85.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.89 -42.14 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 96.9 t -60.59 -50.39 80.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HB3' HG23 ' A' ' 42' ' ' THR . 90.4 m-70 -59.6 -43.16 93.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 9' ' ' HIS . 55.3 tp -59.27 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.481 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.08 -46.39 89.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 57.2 mm-40 -65.38 -46.8 78.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -78.78 44.21 0.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 46.72 32.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 32' ' ' LEU . 75.8 m-20 55.81 48.19 18.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 41' ' ' LEU . 55.4 p30 -113.47 137.78 51.05 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.725 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 12' ' ' LYS . 94.6 mt -83.62 -47.84 10.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -54.88 -50.23 69.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 59.2 tp -68.41 -54.54 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 111.682 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -55.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 63.2 mt -53.29 -40.76 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.73 -45.88 60.14 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.691 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -68.87 -39.11 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.135 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.03 -35.92 67.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.959 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 ' N ' ' B' ' 49' ' ' GLN . 77.2 mt -47.23 -50.07 21.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 50' ' ' ASN . 95.8 mttt -67.64 -26.87 66.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.424 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -75.34 31.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.375 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 48' ' ' LYS . 7.0 m120 -145.76 46.72 1.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.524 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -169.93 -45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 50.4 t0 58.0 -133.03 1.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.7 mtmt -63.43 -45.49 90.67 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 120.67 0.271 . . . . 0.0 110.998 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.908 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.444 ' HG3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.943 0.401 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 70.8 mt-30 -62.34 153.86 29.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.597 HD13 HG21 ' B' ' 17' ' ' VAL . 44.0 pt -142.86 138.52 27.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.79 141.13 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.364 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -124.62 79.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.3 tttt -76.92 129.45 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.417 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -77.02 -148.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.525 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.952 HD11 HG13 ' B' ' 70' ' ' VAL . 88.8 mt -108.38 48.5 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.628 0.251 . . . . 0.0 110.848 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -160.6 -52.27 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.436 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' B' ' 12' ' ' THR . . . 171.65 -38.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.575 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.4 139.35 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.766 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' HB2' ' B' ' 6' ' ' LYS . 81.8 p -135.55 125.45 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.567 HG21 ' HE3' ' B' ' 33' ' ' LYS . 67.4 mt -106.45 123.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.478 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.0 m -90.12 142.72 27.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' B' ' 33' ' ' LYS . 8.1 mt -151.37 133.58 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 23.2 pt-20 -77.29 132.06 38.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 3' ' ' ILE . 29.1 m -147.9 133.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.058 0.456 . . . . 0.0 111.454 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 85.3 tt0 -67.34 139.81 57.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.006 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -63.56 -39.37 94.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.515 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 62.9 m -91.02 25.0 2.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 8.7 t0 -84.43 -124.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.244 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.541 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.4 t -167.56 144.22 4.28 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.421 ' CG2' ' HA ' ' B' ' 52' ' ' ASP . 38.9 mm -54.0 -47.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.052 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' HA2' ' B' ' 53' ' ' GLY . 2.7 p30 -53.69 -42.44 67.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.488 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.541 ' H ' HG23 ' B' ' 22' ' ' THR . 46.1 t30 -59.81 -45.2 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.42 -49.28 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.603 ' HE2' HD13 ' B' ' 43' ' ' LEU . 98.0 mttt -60.89 -37.24 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -62.14 -44.9 95.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -59.68 -46.92 87.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.354 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.599 ' HA ' ' NZ ' ' B' ' 33' ' ' LYS . 68.3 mt -63.37 -36.48 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.404 ' OE1' ' HG3' ' B' ' 38' ' ' PRO . 40.1 tt0 -59.96 -47.01 87.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.97 -42.12 77.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.408 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' HA ' ' B' ' 30' ' ' ILE . 6.0 ttpm? -65.84 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.911 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.83 -40.75 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.847 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 31.28 30.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.054 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -96.2 131.85 27.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.364 0.126 . . . . 0.0 110.802 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.9 Cg_endo -56.08 135.28 69.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.399 2.066 . . . . 0.0 111.927 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.8 Cg_exo -51.51 -37.88 63.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.794 2.329 . . . . 0.0 112.93 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.81 -48.43 81.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.532 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 34.3 mt-30 -69.12 -53.84 18.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.541 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.8 pt20 -63.56 143.39 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.664 HH21 HG11 ' B' ' 70' ' ' VAL . 56.6 ttp180 -150.3 125.45 10.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' B' ' 27' ' ' LYS . 6.3 mp -93.28 132.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.612 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.541 ' CD1' HD21 ' A' ' 47' ' ' LEU . 97.1 mt -131.05 140.05 49.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.806 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.854 ' HB3' HD21 ' B' ' 50' ' ' LEU . 33.9 t80 -159.89 152.86 21.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.763 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.97 31.51 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 110.3 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.16 34.61 81.41 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.634 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -172.36 143.29 1.41 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.144 0.472 . . . . 0.0 111.728 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.619 ' N ' HD22 ' A' ' 47' ' ' LEU . 37.7 tt0 -57.66 132.8 54.34 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.711 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.854 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.9 mt -83.92 127.17 33.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.67 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.432 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.421 ' HA ' ' CG2' ' B' ' 23' ' ' ILE . 2.7 p30 -71.35 147.76 47.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.795 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.535 ' HA2' ' OD2' ' B' ' 24' ' ' ASP . . . 96.97 -29.16 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 12.2 mmp_? -64.67 -145.08 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 111.198 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.1 p -150.49 146.1 26.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.227 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 61' ' ' ILE . 93.2 mt -53.36 -44.05 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.75 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -58.59 -36.21 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.342 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' B' ' 50' ' ' LEU . 2.5 m-85 -81.54 23.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 47.0 33.89 2.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 56' ' ' LEU . 75.1 mt -72.53 126.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.285 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.565 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 0.1 OUTLIER -85.35 -157.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.902 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 62.8 pttt -92.26 147.28 23.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.778 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 58.44 39.93 24.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.8 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.2 m -92.01 84.69 5.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.777 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.9 mp -86.28 140.71 29.84 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.759 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.686 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 51.3 m170 -100.73 127.74 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' B' ' 41' ' ' GLN . 55.6 tp -97.5 80.28 2.83 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.296 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.952 HG13 HD11 ' B' ' 8' ' ' LEU . 89.3 t -71.55 133.33 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.954 0.407 . . . . 0.0 111.501 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -98.75 138.1 36.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.602 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.3 tpt180 -65.27 -42.46 93.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.888 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.26 138.95 49.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -55.27 136.99 48.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.79 -45.32 96.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.307 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.414 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.56 0.219 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -172.15 -40.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -176.2 40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.229 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -24.54 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.624 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 54.6 mt-10 -51.51 -43.43 62.26 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.2 p -58.56 -46.82 86.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.465 0.65 . . . . 0.0 109.468 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 39' ' ' LEU . 30.6 mmtp -61.51 -37.95 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.21 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 16' ' ' LEU . 65.9 tp -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.641 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -60.83 -46.67 89.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.564 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 8' ' ' LEU . 7.9 mm -57.77 -40.15 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 32' ' ' LEU . 90.5 mt -61.12 -42.3 98.29 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 83.2 mtp -60.15 -49.6 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.8 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.558 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 60.2 t0 -73.78 -32.36 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.501 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 56.7 tpp -66.16 -38.3 87.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.724 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 9.5 m-85 -129.52 67.99 79.74 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 10.4 Cg_endo -53.43 -38.48 82.95 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.474 2.116 . . . . 0.0 111.691 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.1 99.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.199 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' LYS . 63.0 mt -68.29 135.72 27.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.309 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -62.11 143.06 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.849 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.71 -40.93 76.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 30' ' ' VAL . 60.4 m -54.8 -48.66 72.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.8 tttt -59.38 -38.1 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.701 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 87.0 mt -62.88 -43.47 98.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.503 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -65.39 -42.56 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 0.0 111.009 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 26' ' ' SER . 66.1 t -59.92 -59.22 4.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.728 ' ND1' HG21 ' A' ' 42' ' ' THR . 3.9 p80 -58.77 -41.68 87.19 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 16' ' ' LEU . 56.1 tp -55.91 -43.43 77.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.3 mt -61.68 -41.61 97.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.324 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 46.9 mt-10 -56.56 -54.87 40.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.071 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -83.94 36.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 64.22 -74.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 p30 179.32 28.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.072 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.83 125.91 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.655 ' HB2' HD21 ' B' ' 8' ' ' LEU . 95.7 mt -79.17 -43.79 23.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.02 -49.38 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.65 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.15 -64.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' ND1' ' A' ' 31' ' ' HIS . 28.7 m -53.26 -58.56 6.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.074 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.549 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 58.6 mt -57.34 -42.9 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.087 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.77 -45.72 54.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.788 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -74.47 -32.63 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.235 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 42' ' ' THR . 0.7 OUTLIER -56.23 -44.47 79.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.478 -179.419 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 49' ' ' GLN . 63.7 mt -48.74 -51.19 30.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -76.03 -31.33 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -49.72 -43.72 47.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.525 ' HB3' ' HD3' ' B' ' 48' ' ' LYS . 24.1 t-20 -53.26 -46.67 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.432 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.09 128.83 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -175.22 128.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -177.97 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.852 179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.526 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 20.5 pt20 -67.65 143.16 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.452 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.423 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.9 pt -138.86 138.12 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -80.1 138.35 36.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.988 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.536 HG21 HD12 ' B' ' 15' ' ' LEU . 43.4 t -132.68 77.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.056 0.455 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.6 ttpt -80.48 133.68 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -70.23 -150.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -105.78 41.86 1.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.338 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -150.15 -53.37 0.15 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.78 -40.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.716 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.2 tttp -52.66 131.35 34.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.635 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.9 m -121.12 136.05 55.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -117.13 121.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.451 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 87.8 m -88.29 142.94 27.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD12 HG21 ' B' ' 5' ' ' VAL . 7.9 mt -147.92 136.23 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 111.102 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.17 130.24 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.758 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -151.6 142.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 0.3 OUTLIER -66.32 147.04 53.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.37 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -63.44 -45.67 89.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -87.05 25.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.591 ' O ' HG22 ' B' ' 55' ' ' THR . 39.1 t70 -77.13 -126.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.6 t -174.73 140.48 0.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.678 0.275 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.559 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -52.24 -38.7 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 65.1 t0 -56.04 -47.81 77.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.463 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.665 ' H ' HG23 ' B' ' 22' ' ' THR . 15.0 t-20 -62.97 -40.47 97.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.439 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 30' ' ' ILE . 50.5 t -57.14 -48.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.597 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.61 -37.51 86.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -58.65 -44.82 90.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.413 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.473 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.6 mttt -64.4 -44.1 92.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.7 mt -60.97 -37.98 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.597 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.477 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 41.4 tt0 -64.53 -46.83 81.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.251 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.34 -43.48 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.602 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -70.86 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.83 -42.47 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.79 45.62 5.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.922 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 71' ' ' LEU . 68.8 mt -124.53 133.95 25.17 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.456 0.169 . . . . 0.0 110.79 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 50.6 Cg_exo -54.31 134.61 61.79 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.438 2.092 . . . . 0.0 112.343 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 37.2 Cg_endo -65.41 -40.54 18.36 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.659 2.24 . . . . 0.0 112.528 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -57.34 -39.58 76.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 64.6 tt0 -74.39 -52.96 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.387 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' B' ' 71' ' ' LEU . 21.4 pt20 -69.67 132.52 46.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.949 0.404 . . . . 0.0 111.427 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' B' ' 42' ' ' ARG . 8.3 mmp_? -111.52 112.71 24.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.926 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 67' ' ' LEU . 52.3 tp -83.84 82.6 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.417 HG12 HD21 ' A' ' 47' ' ' LEU . 83.1 mt -82.09 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 112.029 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.7 t80 -161.93 138.21 7.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.35 34.9 23.02 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 58.64 32.14 68.72 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.962 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 50' ' ' ASN . 26.5 mmmt -154.5 138.07 16.0 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.676 0.274 . . . . 0.0 110.857 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -69.13 124.52 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.258 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -69.23 125.21 25.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.599 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -82.07 140.36 33.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.437 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 1.5 m-20 -66.62 141.76 57.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 101.46 -37.25 3.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.954 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.559 ' O ' HG12 ' B' ' 23' ' ' ILE . 47.8 mmt-85 -70.21 130.13 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 111.535 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.591 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.3 p -71.26 154.84 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.725 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 61' ' ' ILE . 88.9 mt -52.1 -38.67 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -54.88 -36.8 65.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.837 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -54.57 -56.01 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.538 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' B' ' 61' ' ' ILE . 30.5 m-85 -79.9 16.92 1.04 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.695 0.283 . . . . 0.0 110.935 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.7 t30 48.89 36.51 8.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.524 HG12 ' CE2' ' B' ' 45' ' ' PHE . 62.0 mt -71.09 123.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -80.95 -141.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -111.37 143.74 41.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.631 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.526 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 49.7 mt-10 59.23 33.43 22.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.699 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -73.15 139.78 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.609 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 82.7 m -80.21 128.3 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' B' ' 43' ' ' LEU . 98.9 mt -120.59 128.71 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.158 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.579 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 45.2 m170 -93.02 135.6 34.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 111.949 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.3 tt -115.32 131.37 56.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.683 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.879 HG13 HD22 ' B' ' 8' ' ' LEU . 58.5 t -137.99 118.86 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 41' ' ' GLN . 94.3 mt -76.2 138.78 40.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 77.0 mtp180 -66.65 -50.4 63.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.644 HD23 ' N ' ' B' ' 74' ' ' ARG . 3.4 tt -71.92 132.04 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.19 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.644 ' N ' HD23 ' B' ' 73' ' ' LEU . 3.5 mmm180 -60.26 132.05 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.82 45.64 96.09 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.52 ' HA2' HD13 ' B' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -1.29 . . . . 0.0 112.639 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -54.94 -46.24 74.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -172.54 45.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -24.89 67.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.195 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -51.43 -38.27 52.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.607 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -58.39 -48.02 81.99 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.79 ' HB3' HD21 ' A' ' 39' ' ' LEU . 58.8 mttp -61.69 -39.62 92.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.439 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.8 tp -58.49 -40.25 82.26 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.488 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.52 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 54.0 m -59.9 -45.2 93.3 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.294 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.896 HG21 HD12 ' B' ' 8' ' ' LEU . 28.0 mm -52.71 -46.07 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.5 mt -61.79 -38.25 87.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.818 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 59.7 mtt -53.25 -51.76 61.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.279 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 38.9 t70 -82.26 -26.58 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.964 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 48.6 tpp -63.01 -36.1 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 33.8 m-85 -137.99 71.79 48.19 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 53.2 Cg_exo -52.34 -37.49 71.61 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.689 2.259 . . . . 0.0 112.497 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.08 32.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.684 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 20' ' ' PHE . 70.8 mt -148.67 133.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.722 0.296 . . . . 0.0 110.829 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -60.93 139.56 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -59.48 -38.14 80.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.9 p -54.18 -46.26 72.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.96 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.66 -47.09 87.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 16' ' ' LEU . 87.8 mt -58.01 -38.36 76.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.589 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 66.0 tt0 -62.91 -43.15 99.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.329 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' SER . 66.2 t -59.15 -51.75 68.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -59.92 -41.85 92.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -47.11 86.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -60.88 -46.38 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.743 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.5 -45.83 91.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.001 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' OD1' HD22 ' A' ' 41' ' ' LEU . 75.8 m-20 -79.66 35.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.45 39.17 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.755 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 56.66 41.63 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -104.76 129.85 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 12' ' ' LYS . 71.6 mt -79.01 -44.84 21.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.699 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -55.1 -48.55 73.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.659 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 45' ' ' LEU . 4.0 tt -69.82 -59.03 3.19 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 111.027 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.8 m -51.33 -60.48 3.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.4 mt -59.43 -36.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.08 -51.65 34.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD13 HD23 ' A' ' 41' ' ' LEU . 7.4 mp -73.3 -39.6 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.641 0.258 . . . . 0.0 111.05 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 42' ' ' THR . 3.8 mm? -51.56 -43.19 62.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.63 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.0 mt -60.97 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.701 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -87.2 34.55 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.364 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.99 -50.0 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -80.77 48.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -61.31 134.0 56.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.08 135.23 57.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.83 133.23 53.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.802 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 24.2 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.919 0.39 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 5.3 mp0 -114.41 138.11 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.711 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.8 pt -129.91 137.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.0 m-85 -77.22 137.94 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.588 ' CG2' HD23 ' B' ' 15' ' ' LEU . 42.5 t -137.1 78.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 37.7 ttpt -79.97 137.22 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.732 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -80.65 163.57 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.918 HD22 HG13 ' B' ' 70' ' ' VAL . 20.6 tp -77.26 52.9 0.96 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -158.01 -55.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.58 58.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.074 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -161.57 115.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.8 m -93.12 134.97 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.475 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' B' ' 15' ' ' LEU . 65.8 mt -120.77 124.36 72.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.657 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 36.3 m -86.85 115.8 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.862 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.588 HD23 ' CG2' ' B' ' 5' ' ' VAL . 3.7 mm? -113.65 131.59 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -81.51 137.37 35.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 1' ' ' MET . 7.8 p -177.23 131.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' B' ' 21' ' ' ASP . 7.3 pm0 -68.53 149.02 49.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.737 ' HA ' HD12 ' B' ' 56' ' ' LEU . 50.8 m -58.75 -42.47 88.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.4 t -80.26 35.61 0.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.474 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.64 ' HB2' ' HG2' ' B' ' 18' ' ' GLU . 9.9 t0 -99.65 -122.15 0.15 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 6.3 t -172.55 140.74 1.07 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.717 0.294 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.692 HD12 HD13 ' B' ' 50' ' ' LEU . 45.6 mm -51.41 -38.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.401 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -51.2 -42.27 60.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.45 -41.61 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.329 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.481 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.5 t -56.88 -48.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.295 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.2 mptm? -61.94 -36.58 81.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -61.83 -50.02 73.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.99 -45.92 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.2 mt -60.0 -39.56 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.673 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.21 -45.24 89.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.721 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.77 -45.2 68.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.631 ' NZ ' ' HB2' ' B' ' 33' ' ' LYS . 4.7 ttmp? -64.88 -61.62 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -72.01 -39.0 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.748 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.83 29.4 47.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.116 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.9 mt -87.93 133.93 36.36 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.04 134.38 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.297 1.998 . . . . 0.0 112.083 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -57.13 -45.41 35.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.386 2.058 . . . . 0.0 111.707 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -83.29 40.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.558 HE21 HD11 ' B' ' 71' ' ' LEU . 34.5 tt0 -162.19 35.23 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 110.693 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.37 146.35 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -144.0 122.57 12.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.368 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.4 mm? -83.71 123.65 30.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.333 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 47' ' ' LEU . 60.3 mt -111.91 144.25 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.683 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.2 t80 -155.27 141.91 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.689 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.81 -64.48 0.35 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 110.55 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.65 24.08 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.018 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 47' ' ' LEU . 39.1 ttpt -173.42 156.04 2.96 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 16.9 pt20 -59.57 138.14 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.692 HD13 HD12 ' B' ' 23' ' ' ILE . 96.2 mt -70.03 133.09 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 49.3 mt-10 -68.52 133.83 49.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.03 50.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.484 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.85 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.425 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.604 ' O ' HG12 ' B' ' 23' ' ' ILE . 39.4 mmt180 -150.91 135.08 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 21' ' ' ASP . 74.5 p -63.78 156.03 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.3 mt -53.41 -38.8 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 85.8 p -56.62 -28.35 60.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.491 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.3 -56.56 12.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -82.46 30.96 0.4 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 0.0 111.065 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 49.88 34.67 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.495 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.441 HG23 ' OG ' ' B' ' 65' ' ' SER . 68.7 mt -73.54 118.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.36 -67.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 111.195 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 0.2 OUTLIER 179.2 148.64 0.24 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.595 ' OE1' ' HG3' ' B' ' 63' ' ' LYS . 3.9 mp0 58.67 35.94 24.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.441 ' OG ' HG23 ' B' ' 61' ' ' ILE . 53.6 m -77.9 137.15 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.892 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 62.4 m -79.98 129.99 34.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 50' ' ' LEU . 85.5 mt -122.27 126.59 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.777 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -92.55 131.0 38.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.881 0.372 . . . . 0.0 111.922 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.496 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -109.03 106.7 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.205 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.918 HG13 HD22 ' B' ' 8' ' ' LEU . 78.2 t -92.63 122.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.558 HD11 HE21 ' B' ' 40' ' ' GLN . 57.1 tp -81.75 130.58 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.887 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.499 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -74.58 124.89 27.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.149 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' B' ' 72' ' ' ARG . 94.5 mt -82.86 126.94 33.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -73.56 141.99 46.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 44.5 0.17 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.518 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 16.4 t-20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.467 0.175 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 6' ' ' ASN . 58.2 m-20 75.57 -42.32 0.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.503 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 58.85 43.21 18.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -22.89 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.637 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.3 -39.39 45.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.332 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -63.64 -43.49 96.63 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.7 mmtt -62.4 -36.45 82.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.151 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.4 tp -60.74 -40.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.001 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -59.4 -42.93 92.9 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.774 HG21 HD22 ' B' ' 8' ' ' LEU . 37.0 mm -53.64 -46.51 61.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 28' ' ' LEU . 94.2 mt -60.67 -37.21 80.84 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.56 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 84.7 mtp -55.9 -51.72 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 37.8 t70 -81.8 -26.13 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 46.0 tpp -65.45 -37.96 88.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 6.3 m-85 -136.88 69.53 58.09 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.018 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 8.0 Cg_endo -50.5 -40.79 54.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.734 2.289 . . . . 0.0 112.28 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.68 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.475 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.712 HG23 ' HD3' ' A' ' 27' ' ' LYS . 68.7 mt -66.38 139.45 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -63.47 145.22 56.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.273 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -59.01 -47.08 86.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 30' ' ' VAL . 56.6 m -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 23' ' ' ILE . 60.7 tttm -58.94 -44.56 91.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 16' ' ' LEU . 93.6 mt -59.81 -42.82 94.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.877 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 53.7 tt0 -61.01 -42.46 98.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.701 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 98.2 t -59.29 -52.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.2 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -57.22 -48.09 79.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 37' ' ' ASN . 60.7 tp -54.39 -43.7 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 37' ' ' ASN . 96.0 mt -67.25 -34.55 77.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.798 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 49.3 mt-10 -55.81 -56.74 16.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 2.9 m120 -61.92 -71.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.342 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER 167.76 42.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 72.6 m-20 57.45 40.79 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.83 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -121.83 133.28 54.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 43' ' ' ILE . 92.6 mt -72.51 -40.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.777 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.6 -50.62 67.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.5 mp -74.17 -55.08 6.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 76.8 m -55.01 -54.87 37.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.455 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.704 HD11 HD22 ' A' ' 39' ' ' LEU . 58.7 mt -68.29 -38.71 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.73 -50.74 30.67 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.192 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 41' ' ' LEU . 7.8 mp -77.72 -30.98 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.712 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -57.34 -45.26 84.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.702 -179.187 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' HA ' ' B' ' 48' ' ' LYS . 69.1 mt -54.97 -47.06 75.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.907 0.384 . . . . 0.0 111.133 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.65 -42.19 87.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -63.93 -45.02 91.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.26 -30.85 69.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -49.02 -40.69 31.95 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -168.46 130.08 1.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.52 -46.11 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.525 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' B' ' 16' ' ' GLU . 11.0 mm100 -114.62 155.6 26.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -141.67 126.14 16.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 1.5 m-85 -98.06 95.47 7.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.828 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' B' ' 69' ' ' LEU . 25.5 t -78.75 77.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.652 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 1.7 tmtp? -79.03 123.8 27.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.91 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -73.1 151.38 41.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 15' ' ' ILE . 86.1 mt -48.04 87.59 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.495 ' OG1' HD11 ' A' ' 15' ' ' ILE . 33.1 m 58.97 69.65 0.71 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.33 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 -113.02 0.29 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.349 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.561 ' HE3' HG12 ' B' ' 13' ' ' ILE . 55.3 tttp -90.14 130.97 36.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 57.6 m -99.94 107.38 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.561 HG12 ' HE3' ' B' ' 11' ' ' LYS . 59.5 mt -90.11 98.65 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.48 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.5 m -79.12 142.18 36.64 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' C ' ' B' ' 14' ' ' THR . 11.4 mt -149.95 141.0 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.452 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' B' ' 2' ' ' GLN . 38.9 tt0 -90.14 133.69 34.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.8 m -152.71 134.46 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.007 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.63 146.51 54.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -77.68 42.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.71 38.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.016 0.436 . . . . 0.0 110.749 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.52 ' O ' HG22 ' B' ' 55' ' ' THR . 64.4 m-20 -108.03 -120.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.678 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.652 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.7 t -166.57 143.74 4.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 50' ' ' LEU . 45.6 mm -52.31 -43.25 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.94 -40.48 66.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.652 ' H ' HG23 ' B' ' 22' ' ' THR . 23.3 t-20 -60.28 -41.61 93.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.76 -48.97 86.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HD2' ' OD2' ' B' ' 52' ' ' ASP . 99.3 mttt -60.89 -42.47 98.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.8 p -59.39 -43.26 92.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 28.9 mtpp -60.12 -43.31 95.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.152 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.469 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 69.5 mt -62.18 -39.47 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 17.7 tt0 -62.29 -49.29 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.69 -45.72 85.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.79 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.28 -62.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 30' ' ' ILE . 7.7 mp0 -71.24 -42.18 69.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.06 49.36 3.8 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.174 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -133.75 134.46 23.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.554 0.216 . . . . 0.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.4 Cg_exo -54.65 138.06 74.85 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.622 2.214 . . . . 0.0 112.625 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.55 -40.22 68.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.85 2.367 . . . . 0.0 112.717 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.92 -46.85 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.299 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -64.34 -50.57 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' B' ' 69' ' ' LEU . 19.3 pt20 -70.66 140.34 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -130.45 124.47 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 92.3 mt -96.78 83.07 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.779 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.642 HD13 HD21 ' A' ' 47' ' ' LEU . 63.8 mt -81.74 142.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.541 ' HE2' HG12 ' B' ' 61' ' ' ILE . 20.1 t80 -162.75 142.84 9.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.89 -30.64 0.21 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.713 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 163.16 -14.15 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.311 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.919 ' HA ' HD22 ' A' ' 47' ' ' LEU . 23.6 pttm -164.26 163.21 22.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.894 0.378 . . . . 0.0 111.377 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 3.4 tm0? -52.6 135.48 34.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.466 ' O ' HG13 ' B' ' 23' ' ' ILE . 87.1 mt -75.45 44.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 51.67 -166.59 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' HD2' ' B' ' 27' ' ' LYS . 9.7 t0 -145.4 52.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.067 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.25 48.8 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -141.11 -144.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.464 0.173 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.52 HG22 ' O ' ' B' ' 21' ' ' ASP . 73.0 p -150.49 147.21 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 61' ' ' ILE . 98.2 mt -53.7 -41.01 66.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -62.91 -34.59 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.348 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.33 -50.57 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.268 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.554 ' HB2' HG13 ' B' ' 61' ' ' ILE . 18.0 m-85 -79.35 19.8 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 46.5 37.34 4.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.4 mt -67.71 128.91 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 46.7 tt0 -66.86 -114.9 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.157 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 19.4 ptpt -154.55 153.91 32.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.529 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 11.7 pt-20 46.83 32.9 1.94 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.167 0.508 . . . . 0.0 110.703 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -75.71 137.26 40.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.828 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.559 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.9 m -83.2 100.86 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.61 135.82 33.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 43.0 m170 -86.32 134.29 33.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.009 0.433 . . . . 0.0 111.968 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' B' ' 41' ' ' GLN . 59.3 tp -109.16 133.85 52.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.078 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.58 HG13 HD11 ' B' ' 8' ' ' LEU . 47.8 t -135.37 124.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.931 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 40' ' ' GLN . 47.9 tp -94.81 130.51 41.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.098 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 74.9 mtt-85 -67.21 131.09 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.396 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.545 HD13 ' N ' ' B' ' 74' ' ' ARG . 2.1 tm? -62.99 126.17 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.505 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.545 ' N ' HD13 ' B' ' 73' ' ' LEU . 56.3 ttp180 57.29 -86.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.96 136.01 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.558 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.531 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -167.86 -143.93 0.05 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 55.16 46.6 23.56 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.022 0.439 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.91 -23.85 60.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -50.5 -39.0 47.3 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.183 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -58.43 -48.06 81.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.391 0.615 . . . . 0.0 109.397 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.1 mttm -62.11 -39.17 91.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.425 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.3 tp -59.15 -39.27 81.92 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.475 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 46.8 t -60.65 -44.56 96.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.21 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.031 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 mm -56.17 -40.67 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.1 mt -61.7 -41.2 97.27 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.466 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.533 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 mtp -54.93 -53.78 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.5 -31.25 62.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.67 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.509 ' SD ' HG21 ' B' ' 44' ' ' ILE . 59.8 tpp -56.75 -38.54 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 4.3 m-85 -130.48 110.71 16.33 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.76 57.11 5.92 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.826 2.351 . . . . 0.0 112.382 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 -46.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.909 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.746 HG23 ' HD3' ' A' ' 27' ' ' LYS . 4.3 mp -74.44 132.04 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.96 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.7 m -68.82 154.38 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 55.6 mtpt -55.77 -39.52 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 m -58.13 -49.62 76.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.746 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.5 tttt -60.61 -50.34 73.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 16' ' ' LEU . 95.9 mt -56.82 -40.62 76.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.71 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.9 tt0 -58.99 -45.45 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.969 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 26' ' ' SER . 98.4 t -58.31 -44.58 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.3 m-70 -59.67 -46.2 89.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.291 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -63.16 -43.51 98.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.036 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.9 mt -58.08 -45.37 87.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 59.9 mm-40 -64.45 -45.48 87.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.644 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -79.36 28.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 5.4 m120 63.12 -72.62 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.927 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER 178.09 72.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -153.8 127.98 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 12' ' ' LYS . 92.8 mt -77.69 -39.86 43.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.429 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.9 -45.78 74.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.31 -61.23 1.93 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 111.01 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 46' ' ' LEU . 63.0 m -51.86 -62.94 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.175 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.484 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 64.9 mt -55.69 -39.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.62 -45.11 47.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.457 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.4 tt -69.97 -40.12 75.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.343 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.32 -49.55 74.0 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.795 HD13 ' HB3' ' B' ' 49' ' ' GLN . 74.2 mt -53.96 -49.49 68.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.905 0.383 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -82.92 43.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.459 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -56.2 -34.68 66.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.074 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -157.32 48.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.95 138.4 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.845 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.48 131.98 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -64.65 136.72 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' B' ' 19' ' ' SER . 27.4 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.888 0.375 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.483 HE22 ' HE1' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -145.94 -179.02 6.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.378 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.614 HD11 HG21 ' B' ' 17' ' ' VAL . 7.0 pt -146.19 137.1 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.662 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.561 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.7 m-85 -77.9 143.24 37.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.37 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.549 HG21 HD12 ' B' ' 15' ' ' LEU . 61.9 t -133.17 80.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.352 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 65.1 tttp -78.29 121.74 24.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.842 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -73.77 149.02 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.482 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -51.58 -39.69 58.37 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.339 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -74.16 -59.93 2.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 103.16 0.18 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.912 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' B' ' 11' ' ' LYS . 4.9 ttmp? 177.67 117.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.617 0.246 . . . . 0.0 110.684 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -90.06 76.51 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.383 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.483 HG13 ' HG2' ' B' ' 11' ' ' LYS . 61.9 mt -75.91 112.68 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 82.4 m -92.89 142.29 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.624 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG21 ' B' ' 5' ' ' VAL . 12.3 mt -141.69 142.82 33.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.837 0.351 . . . . 0.0 111.261 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.88 124.85 26.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.885 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.614 HG21 HD11 ' B' ' 3' ' ' ILE . 40.9 t -150.32 129.86 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.426 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' B' ' 20' ' ' SER . 42.0 mm-40 -72.6 160.72 31.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.065 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 71.5 p -76.09 27.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.458 ' H ' ' C ' ' B' ' 18' ' ' GLU . 87.6 p -165.1 28.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 38.8 t70 -76.09 -121.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.217 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.481 HG23 ' H ' ' B' ' 25' ' ' ASN . 3.4 t -173.77 138.71 0.66 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.252 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.609 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.5 mm -54.66 -41.5 56.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.668 ' H ' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -53.7 -44.78 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.481 ' H ' HG23 ' B' ' 22' ' ' THR . 22.7 t-20 -58.25 -42.67 86.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -55.99 -47.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.298 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.56 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 63.4 mttp -61.36 -36.45 80.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 m -59.87 -51.17 70.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.39 -46.74 88.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.835 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.29 -37.89 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -46.03 91.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.297 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -67.51 -47.17 70.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.793 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.84 -61.59 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.07 -41.62 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.894 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.53 3.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.386 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -132.43 132.88 23.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.467 0.175 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 10.0 Cg_endo -53.15 138.73 63.22 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.608 2.205 . . . . 0.0 112.112 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.38 -44.55 48.43 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.767 2.311 . . . . 0.0 112.404 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.86 -40.71 93.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' B' ' 72' ' ' ARG . 11.5 tp-100 -64.15 -50.6 67.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.188 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.88 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -74.49 138.83 43.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.621 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.591 HH21 ' HG2' ' B' ' 72' ' ' ARG . 12.7 ptp180 -130.49 128.24 40.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 83.6 mt -90.33 138.26 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.509 HG21 ' SD ' ' A' ' 19' ' ' MET . 91.6 mt -127.06 138.94 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.209 0.528 . . . . 0.0 111.311 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 23.8 t80 -163.76 140.87 7.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.389 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 34.01 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 59.38 32.22 72.06 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.905 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' B' ' 47' ' ' GLY . 26.7 mmmt -153.85 138.56 17.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.594 0.235 . . . . 0.0 110.794 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.795 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -66.22 125.89 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.407 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' ' 45' ' ' PHE . 64.7 mt -78.18 128.09 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -78.2 136.32 37.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.341 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 50.2 p-10 -64.34 150.88 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.668 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 86.65 -32.11 4.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.727 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.609 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.4 mmt-85 -65.17 134.2 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.491 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -72.22 150.22 43.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.57 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 72.2 mt -54.36 -38.33 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -54.45 -34.98 62.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.804 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -53.33 -53.87 44.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -85.25 28.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.94 39.18 13.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.3 mt -73.53 121.7 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -80.18 -69.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.59 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -177.94 152.16 0.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.205 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . 16.8 pt-20 44.72 37.54 2.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -69.32 143.99 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 89.8 m -86.59 123.57 31.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.483 HD12 ' C ' ' B' ' 66' ' ' THR . 6.8 mp -119.24 131.84 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.295 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.631 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -93.9 127.21 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.002 0.43 . . . . 0.0 112.121 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' B' ' 41' ' ' GLN . 60.3 tp -94.11 136.99 33.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.851 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.726 HG22 HD13 ' B' ' 8' ' ' LEU . 87.5 t -142.1 144.95 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.884 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.27 141.73 38.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -72.23 -116.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.228 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.36 139.86 56.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.625 0.25 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -67.98 -141.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.02 136.54 0.06 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.839 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.577 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.723 0.297 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.16 135.28 57.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.518 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -166.89 33.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -74.77 -23.42 58.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -50.25 -35.95 29.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 14' ' ' SER . 67.6 m -59.82 -49.84 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.75 ' HB3' HD21 ' A' ' 39' ' ' LEU . 46.1 mmtm -56.16 -42.46 77.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.113 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 17' ' ' MET . 53.6 tp -60.73 -35.99 77.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.771 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -58.89 -48.76 80.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.499 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.701 HG13 ' NZ ' ' B' ' 6' ' ' LYS . 2.1 mp -57.53 -40.62 75.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.1 mt -60.5 -45.62 93.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 81.9 mtp -55.95 -51.45 67.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -71.72 -30.46 65.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.968 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 60.0 tpp -60.75 -45.77 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.918 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.707 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 10.5 m-85 -116.87 106.41 47.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.652 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.26 50.11 3.43 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.702 2.268 . . . . 0.0 112.596 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.92 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.4 mt -62.59 132.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -63.16 140.04 58.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -56.34 -39.97 73.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.4 t -58.71 -45.9 88.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.4 tttm -59.19 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.638 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.1 mt -56.84 -41.52 78.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.717 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -61.44 -42.7 99.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 26' ' ' SER . 92.5 t -58.01 -47.74 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' HB3' HG23 ' A' ' 42' ' ' THR . 93.5 m-70 -61.17 -40.07 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 9' ' ' HIS . 30.3 tp -62.66 -42.97 99.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.17 -47.29 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.582 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.67 -50.85 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.356 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -85.12 32.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 64.9 -71.89 0.07 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.332 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' OD1' HD11 ' A' ' 32' ' ' LEU . 49.2 t30 -179.09 33.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 12' ' ' LYS . 98.9 mt -88.84 -45.13 9.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.839 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.63 -48.03 82.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.4 tt -65.56 -56.95 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 0.0 111.033 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.633 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 94.3 m -55.74 -60.63 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.707 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.3 mt -58.84 -39.12 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.45 -48.91 53.83 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.4 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 45' ' ' LEU . 7.5 tt -69.09 -40.76 78.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 42' ' ' THR . 87.4 mt -55.92 -36.94 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.202 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 90.0 mt -52.37 -43.64 64.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 1.7 mmmp? -81.36 41.22 0.6 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.452 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -57.19 -36.3 70.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -164.22 -50.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 48' ' ' LYS . 1.4 m-20 54.69 -132.65 1.81 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 66.47 136.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.039 0.447 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 10.6 mptt -63.91 131.03 46.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.944 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.554 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.1 pt20 -137.56 137.71 38.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.736 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -116.82 140.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.099 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.52 142.97 32.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.8 t -127.07 78.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.177 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.701 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 49.6 tttm -69.29 126.58 30.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -91.81 150.04 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.74 HD11 HG13 ' B' ' 70' ' ' VAL . 96.2 mt -47.93 -38.7 17.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 110.542 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -63.1 -57.65 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.4 63.14 0.01 OUTLIER Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.259 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.622 ' NZ ' HG12 ' B' ' 13' ' ' ILE . 61.0 tttm -155.78 118.71 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.047 0.424 . . . . 0.0 111.28 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.578 HG22 ' HB2' ' B' ' 6' ' ' LYS . 76.8 p -91.57 78.19 5.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.648 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.622 HG12 ' NZ ' ' B' ' 11' ' ' LYS . 57.3 mt -61.02 121.6 9.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.773 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.656 ' C ' HD22 ' B' ' 15' ' ' LEU . 78.8 m -90.91 133.16 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.573 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.656 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.21 149.41 52.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.471 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 89.1 tt0 -93.52 126.51 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.933 HG11 HG22 ' B' ' 26' ' ' VAL . 31.4 m -152.12 137.8 11.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.943 0.401 . . . . 0.0 111.368 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.513 ' HG3' ' H ' ' B' ' 20' ' ' SER . 5.4 tp10 -66.61 146.61 54.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.5 m -55.24 -40.48 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.662 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.513 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 54.9 m -97.84 35.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' O ' HG22 ' B' ' 55' ' ' THR . 54.7 t0 -83.45 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.555 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.66 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -172.94 143.51 1.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.7 mm -52.88 -38.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.56 -44.35 76.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.66 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -60.59 -43.17 97.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.933 HG22 HG11 ' B' ' 17' ' ' VAL . 55.8 t -59.2 -46.01 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -61.87 -46.14 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.2 mtpp -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.17 -34.63 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.063 0.459 . . . . 0.0 110.419 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 60.8 tt0 -60.84 -49.63 76.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.55 -41.9 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.486 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.02 -60.74 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.934 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.456 ' OE2' HD13 ' B' ' 13' ' ' ILE . 62.6 mm-40 -79.81 -40.54 28.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.875 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.72 44.95 3.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD21 ' B' ' 71' ' ' LEU . 65.3 mt -121.16 133.85 24.28 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.437 0.16 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 69.7 Cg_exo -50.85 137.8 42.72 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 0.0 112.055 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 18.9 Cg_endo -59.42 -45.1 28.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.592 2.195 . . . . 0.0 112.511 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.77 -44.12 97.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.516 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 16.5 tt0 -61.43 -55.51 30.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.86 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -67.57 143.69 55.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.507 ' HA ' HE22 ' B' ' 49' ' ' GLN . 85.4 mtm180 -137.5 124.49 21.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.53 88.02 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 47' ' ' LEU . 89.4 mt -81.6 141.43 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.253 0.549 . . . . 0.0 111.515 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.746 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.2 t80 -165.14 151.61 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.542 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.72 19.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.334 0.588 . . . . 0.0 109.97 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.23 30.83 76.02 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 113.633 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -173.11 146.11 1.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.206 0.503 . . . . 0.0 111.945 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' B' ' 42' ' ' ARG . 3.4 tp60 -54.56 127.32 27.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.032 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' B' ' 45' ' ' PHE . 79.1 mt -76.3 132.02 39.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 93.9 mt-10 -69.56 131.07 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.51 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.41 -41.57 94.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.988 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.79 50.75 4.32 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.745 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HA ' ' HE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -149.4 133.07 16.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 21' ' ' ASP . 64.8 p -74.56 155.02 38.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.28 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 61' ' ' ILE . 95.0 mt -52.96 -41.01 64.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.2 m -56.48 -33.35 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.632 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -51.83 -56.17 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.603 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.473 ' HB2' HG13 ' B' ' 61' ' ' ILE . 31.1 m-85 -85.53 25.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 48.14 35.92 5.93 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.5 mt -69.1 129.57 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.464 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.88 155.82 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.407 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -48.9 147.76 2.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.554 ' OE1' ' HG3' ' B' ' 2' ' ' GLN . 4.4 mm-40 64.97 38.21 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.23 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -70.03 137.73 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.37 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 46.3 m -85.84 74.6 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.92 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.9 mt -85.22 127.8 34.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.58 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 44.7 m170 -94.96 130.63 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 111.796 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' B' ' 41' ' ' GLN . 62.4 tp -100.75 135.67 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.83 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.74 HG13 HD11 ' B' ' 8' ' ' LEU . 92.5 t -140.61 127.46 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.052 0.453 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.547 HD21 HD13 ' B' ' 36' ' ' ILE . 85.5 mt -78.96 144.76 34.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.323 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 52.1 ttp180 -61.76 167.1 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.635 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 60.2 tp -54.88 136.76 46.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 74' ' ' ARG . 51.3 mtp85 -149.02 -45.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.22 -132.18 1.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.422 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.265 -1.297 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.577 0.227 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -173.91 -147.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.596 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.2 33.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.736 0.303 . . . . 0.0 111.003 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.12 -23.35 51.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.465 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 16.3 pt-20 -50.18 -40.02 45.64 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.815 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 15' ' ' ILE . 62.1 m -61.96 -47.65 83.92 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.8 mmtt -57.97 -35.23 70.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.259 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 49.5 tp -63.39 -43.1 98.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.3 p -60.11 -46.67 88.84 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG21 HD12 ' B' ' 8' ' ' LEU . 1.7 mp -56.39 -40.2 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.84 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.9 mt -61.7 -41.71 97.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.817 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.0 mtt -57.64 -51.29 70.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -71.08 -33.63 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.7 tpp -60.79 -42.6 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.983 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 18.2 m-85 -122.96 99.98 40.63 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.31 49.98 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.771 2.314 . . . . 0.0 112.732 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.19 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.677 0.275 . . . . 0.0 111.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.0 mt -59.07 134.19 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.252 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.3 p -61.19 140.47 57.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.43 -41.93 77.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 t -57.02 -45.32 83.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.9 tttt -59.62 -50.29 74.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.9 mt -56.89 -39.24 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.1 tt0 -64.11 -42.2 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.683 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 26' ' ' SER . 85.4 t -59.54 -50.72 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.8 m-70 -60.66 -43.34 97.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 110.76 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 9' ' ' HIS . 37.7 tp -60.01 -41.43 92.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.061 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 94.9 mt -65.17 -46.3 81.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.536 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.12 -54.13 49.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.556 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.535 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 75.5 m-80 -82.7 35.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.29 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 63.29 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.486 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 44.2 p30 -178.95 34.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.535 ' OD2' ' HB3' ' A' ' 35' ' ' ASN . 2.3 p30 -90.94 134.3 34.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.989 0.423 . . . . 0.0 111.132 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 12' ' ' LYS . 93.6 mt -92.35 -42.66 9.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.443 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 65.4 tp -69.73 -54.75 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 90.1 m -56.49 -56.9 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.408 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.558 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 65.7 mt -60.77 -41.94 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.53 -46.21 53.3 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.915 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.3 -38.48 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.8 mt -61.89 -41.76 98.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.865 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.3 mt -54.14 -43.15 70.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.917 0.389 . . . . 0.0 110.658 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -65.6 -32.87 74.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.21 -46.21 88.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.221 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -84.02 36.72 0.57 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' H ' ' A' ' 52' ' ' ASP . 76.0 m-20 -78.86 -146.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.655 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' H ' ' HB3' ' A' ' 51' ' ' ASP . 1.5 m-20 -70.58 131.85 44.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.721 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -175.97 133.36 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.919 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 25.7 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -87.15 143.46 27.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 3' ' ' ILE . 49.3 pt -137.66 132.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 111.041 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.598 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -82.05 144.87 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 43.5 t -131.96 78.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.369 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 88.8 tttt -66.38 120.24 12.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -74.32 148.3 41.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.038 HD22 HG13 ' B' ' 70' ' ' VAL . 33.9 tp -46.96 -34.35 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.349 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.0 p -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.91 -42.9 0.32 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.205 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.87 125.97 20.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.779 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 32.4 p -98.2 132.53 43.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -112.72 125.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.507 ' C ' HD22 ' B' ' 15' ' ' LEU . 90.1 m -94.14 129.48 40.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.295 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.661 HD12 ' HZ2' ' B' ' 29' ' ' LYS . 3.9 mm? -121.75 139.98 52.9 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 88.7 tt0 -89.35 122.47 32.61 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.561 HG11 HG22 ' B' ' 26' ' ' VAL . 2.2 p -167.5 129.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.369 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.608 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 80.7 mt-10 -76.46 143.94 40.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.711 ' HA ' HD12 ' B' ' 56' ' ' LEU . 44.4 t -58.93 -21.34 57.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.055 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -72.46 -28.72 63.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.939 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.608 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.2 m-20 -59.89 -121.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.632 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.8 t -167.4 149.04 5.71 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 0.0 111.576 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.9 mm -54.27 -42.44 57.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' H ' ' H ' ' B' ' 53' ' ' GLY . 33.7 t70 -55.2 -41.47 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.622 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.632 ' H ' HG23 ' B' ' 22' ' ' THR . 23.8 t-20 -61.0 -43.13 99.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.388 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.561 HG22 HG11 ' B' ' 17' ' ' VAL . 84.9 t -57.75 -52.14 61.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.535 ' HG2' HD13 ' B' ' 43' ' ' LEU . 94.2 mttt -58.64 -36.91 74.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.272 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 50.6 m -61.71 -44.27 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.661 ' HZ2' HD12 ' B' ' 15' ' ' LEU . 7.3 mtpm? -59.09 -44.39 91.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.727 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.425 ' CD1' HD21 ' B' ' 43' ' ' LEU . 66.9 mt -64.15 -33.88 65.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.258 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' B' ' 28' ' ' SER . 15.4 tt0 -61.78 -47.43 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.67 -43.03 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.624 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.0 -63.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.954 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.15 -38.0 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.07 8.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.982 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.458 HD13 HD13 ' B' ' 71' ' ' LEU . 70.5 mt -117.36 135.64 23.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.181 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 75.5 Cg_exo -50.67 140.4 37.08 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.484 2.123 . . . . 0.0 112.409 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 49.1 Cg_exo -55.83 -42.05 71.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.637 2.225 . . . . 0.0 112.607 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.36 -41.96 84.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 16.8 tt0 -60.32 -52.16 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.756 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -86.46 145.95 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 110.76 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -144.3 125.76 14.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.535 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.6 mp -88.18 114.21 24.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.901 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 88.2 mt -101.14 142.97 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HB3' HD21 ' B' ' 50' ' ' LEU . 21.6 t80 -160.24 144.54 14.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.064 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.69 35.02 24.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.151 0.501 . . . . 0.0 110.439 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 29.88 71.38 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.547 -0.752 . . . . 0.0 113.505 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -172.74 137.35 0.77 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.962 0.41 . . . . 0.0 111.778 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.661 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 63.5 tt0 -58.09 126.45 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.297 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' B' ' 45' ' ' PHE . 73.4 mt -70.36 126.6 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.41 126.64 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.7 p30 -71.78 146.37 48.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.832 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.52 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 108.47 -34.16 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.23 -143.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.307 . . . . 0.0 111.075 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 54.5 p -151.36 145.17 25.1 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.0 mt -55.46 -36.29 66.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.609 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.34 -40.54 94.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.195 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.23 -56.44 21.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 12.3 m-85 -68.81 -11.21 60.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 62.08 38.34 14.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.587 HD12 HD23 ' B' ' 56' ' ' LEU . 75.6 mt -66.73 125.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -67.17 159.19 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.591 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -67.36 136.09 54.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 62.05 41.72 10.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.638 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.8 m -76.9 143.82 39.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 68.5 m -83.53 86.17 7.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.369 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 8.9 mp -86.01 126.87 34.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.782 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 10.2 m-70 -77.08 156.38 31.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.517 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 41' ' ' GLN . 44.9 tp -143.1 91.21 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.038 HG13 HD22 ' B' ' 8' ' ' LEU . 88.7 t -75.75 135.53 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.32 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.458 HD13 HD13 ' B' ' 36' ' ' ILE . 44.1 tp -101.18 126.16 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.899 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 79.5 ttt180 -75.29 133.46 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.643 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.73 133.14 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -66.3 136.81 56.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.61 -131.57 43.92 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.573 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.623 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.883 0.373 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.2 -47.27 0.07 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.512 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -174.22 103.99 0.11 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.003 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -26.2 60.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.65 -38.97 61.33 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.09 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' SER . 25.8 m -59.4 -50.62 73.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.559 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.936 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.2 mttt -59.27 -39.43 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.358 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 16' ' ' LEU . 55.4 tp -61.96 -36.51 81.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.558 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 11' ' ' SER . 44.2 t -59.3 -46.67 87.92 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.71 -39.33 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.545 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.6 mt -59.79 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 59.1 mtm -60.13 -51.2 70.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.524 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.475 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.8 t70 -67.49 -40.78 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.519 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 43' ' ' ILE . 56.0 ttm -60.18 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.273 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.728 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 25.1 m-85 -105.01 92.09 5.01 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.957 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 19' ' ' MET . 87.2 Cg_endo -78.07 59.63 7.04 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.634 2.223 . . . . 0.0 112.224 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 23' ' ' ILE . . . -165.71 -48.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.091 0.472 . . . . 0.0 111.682 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG23 ' HD3' ' A' ' 27' ' ' LYS . 3.9 mp -74.12 135.23 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.801 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -61.78 147.46 46.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.507 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -56.47 -39.14 72.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.088 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.5 m -56.53 -47.59 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.9 tttp -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.919 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -56.97 -39.55 74.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.509 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.5 tt0 -62.28 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.648 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' SER . 68.8 t -60.55 -47.88 90.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.1 m-70 -60.25 -44.1 95.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.77 -41.25 95.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -64.7 -45.66 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.419 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 54.2 mt-10 -58.61 -52.12 67.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.067 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.649 ' HB3' HD23 ' A' ' 41' ' ' LEU . 72.9 m-80 -83.71 32.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 64.75 -72.82 0.06 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -177.92 31.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -86.83 127.81 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 12' ' ' LYS . 76.3 mt -79.71 -52.91 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.751 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.12 -40.86 70.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.646 0.26 . . . . 0.0 111.158 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 35' ' ' ASN . 40.8 tp -68.84 -65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.076 0.465 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 31' ' ' HIS . 97.3 m -51.27 -59.73 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.035 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.728 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 73.4 mt -56.21 -37.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.57 -49.91 44.33 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.634 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 42' ' ' THR . 4.4 mm? -57.76 -41.46 81.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.415 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' B' ' 48' ' ' LYS . 62.0 mt -55.45 -50.01 70.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 0.0 110.111 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 8.5 mtpm? -82.98 42.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.566 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.75 -43.91 73.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -70.46 -144.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.833 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 8.4 t70 55.37 -122.19 1.83 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.618 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 34.2 t70 63.27 120.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.026 0.441 . . . . 0.0 111.168 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -94.31 137.29 33.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.909 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.862 0.363 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.707 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 65.4 mt-30 -146.37 -178.41 6.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 pt -147.83 130.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -88.2 118.21 27.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.415 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.77 96.04 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.252 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.5 tttt -90.97 130.05 36.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.705 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.4 p -93.55 147.95 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.273 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 15' ' ' ILE . 52.5 mt -50.57 -38.58 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -60.67 -57.82 11.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.401 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.01 53.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.584 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.496 ' HE2' HD11 ' B' ' 13' ' ' ILE . 86.8 tttt -138.74 126.36 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.032 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -103.41 138.19 40.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.274 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.496 HD11 ' HE2' ' B' ' 11' ' ' LYS . 75.2 mt -135.76 93.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.523 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.4 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 91.4 m -73.07 143.74 47.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.425 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' B' ' 14' ' ' THR . 9.4 mt -145.68 136.24 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.707 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 43.8 tt0 -75.5 131.59 40.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -151.58 135.97 9.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.375 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 20' ' ' SER . 43.5 tp10 -70.72 149.17 47.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.98 -40.83 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.485 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 53.1 m -82.18 49.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 8.6 t70 -120.22 124.22 45.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.125 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.706 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -71.12 143.46 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.85 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.9 mm -51.79 -41.64 30.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -54.65 -45.86 73.9 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.706 ' H ' HG23 ' B' ' 22' ' ' THR . 54.4 t-20 -57.07 -43.21 81.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.74 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.477 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.1 t -59.21 -38.76 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.088 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.598 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.091 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -59.74 -46.35 89.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -59.55 -43.61 93.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 26' ' ' VAL . 68.3 mt -58.15 -41.09 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 9.8 tp-100 -58.25 -47.05 84.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.758 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -62.91 -35.95 81.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -68.84 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.165 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -81.07 -38.49 27.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.04 37.68 11.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.007 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -101.36 133.3 20.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.428 0.156 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.9 Cg_endo -52.17 141.77 47.53 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.704 2.27 . . . . 0.0 112.159 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.29 -42.73 62.98 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.841 2.361 . . . . 0.0 112.837 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.97 -44.05 94.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.981 0.419 . . . . 0.0 110.775 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -67.42 -58.67 4.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.436 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.692 ' HB2' HD11 ' B' ' 69' ' ' LEU . 21.1 pt20 -69.32 139.44 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 111.796 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.65 110.85 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.273 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.598 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.0 mm? -83.95 110.43 18.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.45 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.59 HD13 HD21 ' A' ' 47' ' ' LEU . 77.2 mt -98.24 142.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.824 ' HB3' HD21 ' B' ' 50' ' ' LEU . 34.6 t80 -163.2 146.18 10.43 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.52 -32.97 0.25 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.721 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' HD1' ' A' ' 20' ' ' PHE . . . 164.1 -17.19 0.11 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.822 ' HA ' HD22 ' A' ' 47' ' ' LEU . 22.9 pttm -158.95 165.41 34.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.394 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.59 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -53.31 134.37 39.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.2 mt -70.27 135.74 49.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 50.2 mt-10 -70.58 132.26 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.66 142.37 57.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.563 ' H ' ' HB2' ' B' ' 24' ' ' ASP . . . 93.83 -31.59 6.44 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.942 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.597 ' O ' HG12 ' B' ' 23' ' ' ILE . 12.2 mmp_? -64.7 134.7 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.376 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -75.88 151.74 37.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 83.0 mt -53.37 -40.28 64.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.8 p -55.31 -32.98 62.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.265 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.86 -53.89 51.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.344 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.579 ' HB2' HG13 ' B' ' 61' ' ' ILE . 21.8 m-85 -83.45 16.46 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 49.3 34.25 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.579 HG13 ' HB2' ' B' ' 59' ' ' TYR . 68.2 mt -71.77 123.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 0.2 OUTLIER -84.02 -155.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -96.94 148.41 22.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.03 42.73 15.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -73.75 -152.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.1 m -162.63 131.67 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.1 133.8 55.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.324 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.516 ' ND1' ' HB2' ' A' ' 19' ' ' MET . 33.3 m170 -93.85 109.76 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' B' ' 41' ' ' GLN . 64.2 tp -76.23 137.34 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.199 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.6 HG22 HD11 ' B' ' 8' ' ' LEU . 57.4 t -140.62 129.87 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.934 0.397 . . . . 0.0 111.286 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.9 mp -85.91 141.65 29.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.857 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.02 -72.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 73' ' ' LEU . 5.6 mp -81.95 137.94 35.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.593 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' B' ' 75' ' ' GLY . 51.5 ttp85 57.85 -112.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.431 ' N ' ' HG2' ' B' ' 74' ' ' ARG . . . 67.08 44.59 87.37 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.422 179.879 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.462 0.172 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 65.21 139.53 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -167.96 41.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.769 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.622 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -81.58 -22.98 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -49.86 -34.66 20.67 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.754 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -58.88 -48.98 79.5 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.82 ' HB3' HD21 ' A' ' 39' ' ' LEU . 38.7 mtmm -59.98 -38.29 82.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.304 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.89 -38.88 87.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.702 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -59.22 -47.84 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.647 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.928 HG21 HD22 ' B' ' 8' ' ' LEU . 1.7 mp -57.66 -40.23 74.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.114 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.3 mt -60.24 -42.03 94.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.821 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 81.7 mtp -61.9 -50.94 70.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.558 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -67.55 -44.33 78.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.611 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 56.8 ttm -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.206 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.668 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 26.8 m-85 -102.03 98.13 9.57 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.44 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 19' ' ' MET . 90.8 Cg_endo -80.16 50.77 3.65 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.613 2.208 . . . . 0.0 112.955 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.98 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 27' ' ' LYS . 63.3 mt -59.92 134.05 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.287 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 t -65.94 144.3 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 60.0 mtpt -55.1 -44.88 75.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.0 t -56.7 -44.8 81.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.098 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HD2' HG23 ' A' ' 23' ' ' ILE . 25.1 ttmm -61.25 -48.99 78.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.073 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.3 mt -56.75 -41.29 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.933 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -63.06 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 26' ' ' SER . 89.6 t -58.94 -51.53 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' HB3' HG23 ' A' ' 42' ' ' THR . 83.2 m-70 -60.93 -41.31 95.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 53.4 tp -60.38 -43.67 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.17 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.1 mt -63.41 -47.86 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.401 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 -44.35 91.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -77.29 34.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 45.87 38.03 4.07 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 76.3 m-20 57.92 42.77 22.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.037 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.79 128.38 49.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 0.0 111.025 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.82 HD21 ' HB3' ' A' ' 12' ' ' LYS . 87.0 mt -79.35 -48.97 13.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.624 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.8 -39.03 90.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.902 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 41' ' ' LEU . 3.0 tm? -71.88 -55.76 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.679 0.276 . . . . 0.0 111.041 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 63.2 m -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.668 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 68.0 mt -60.79 -42.55 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.33 -45.43 52.72 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.972 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.2 tt -68.13 -40.78 82.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 109.967 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 42' ' ' THR . 94.5 mt -60.91 -29.27 69.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.731 HD21 HD13 ' B' ' 44' ' ' ILE . 76.5 mt -63.52 -46.84 84.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.271 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -77.18 30.13 0.14 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -87.36 -42.95 12.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -79.81 46.43 0.78 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.48 139.47 49.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -77.62 43.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.359 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -62.95 135.32 57.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.929 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.721 ' HE1' HD13 ' B' ' 56' ' ' LEU . 1.5 tmt? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -125.55 166.52 16.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 17' ' ' VAL . 12.2 pt -142.97 132.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.015 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -81.88 150.58 27.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.708 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' B' ' 69' ' ' LEU . 45.7 t -137.36 78.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 86.2 tttt -80.14 116.81 20.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.644 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 11' ' ' LYS . 2.3 t -80.12 141.95 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 15' ' ' ILE . 36.2 mt -49.43 -34.88 17.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.757 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -51.44 -55.0 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.549 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.55 54.36 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.968 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 7' ' ' THR . 7.5 tmtm? -162.13 118.54 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.852 0.358 . . . . 0.0 110.799 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 54.7 m -85.87 134.24 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.578 HG21 ' NZ ' ' B' ' 33' ' ' LYS . 64.7 mt -124.38 109.9 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 111.45 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -83.02 145.93 29.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.643 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.559 HD21 ' HZ2' ' B' ' 33' ' ' LYS . 14.0 mt -146.28 143.85 29.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.609 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -74.55 125.16 28.02 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.615 HG21 HD11 ' B' ' 3' ' ' ILE . 25.4 t -150.46 132.67 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 0.0 111.842 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.23 141.8 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.233 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.1 m -59.74 -30.38 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 m -102.24 31.14 4.12 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.749 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 35.4 t70 -79.33 -128.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.752 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.8 t -175.03 140.46 0.53 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.66 0.267 . . . . 0.0 110.729 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.621 HG22 ' HE3' ' B' ' 27' ' ' LYS . 32.4 mm -51.99 -37.91 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 8.1 t70 -58.03 -47.1 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.752 ' H ' HG23 ' B' ' 22' ' ' THR . 49.4 t30 -59.88 -42.44 93.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.741 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.533 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.46 -47.55 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' B' ' 23' ' ' ILE . 96.9 mttt -61.12 -41.15 96.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.428 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -58.41 -45.07 89.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.563 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.54 -40.43 96.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.346 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.533 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.5 mt -60.15 -42.48 90.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.438 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.7 tp60 -62.02 -51.57 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.42 -38.92 85.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.403 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.737 ' HE3' ' HG3' ' B' ' 34' ' ' GLU . 36.3 ttpt -73.68 -76.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.27 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.737 ' HG3' ' HE3' ' B' ' 33' ' ' LYS . 49.9 mt-10 -69.03 -35.84 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.43 37.32 31.66 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.177 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.402 HG21 HD22 ' B' ' 71' ' ' LEU . 63.8 mt -91.97 133.81 29.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.129 . . . . 0.0 110.771 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 7.3 Cg_endo -50.86 133.46 39.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HA ' HE21 ' B' ' 41' ' ' GLN . 46.6 Cg_exo -56.13 -41.15 79.78 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.314 2.01 . . . . 0.0 111.691 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.92 33.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.719 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 36.6 tt0 -161.29 31.6 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.009 0.433 . . . . 0.0 110.724 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 38' ' ' PRO . 2.9 pp0? -166.26 139.81 4.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.728 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.452 ' HG3' ' HB ' ' B' ' 70' ' ' VAL . 3.9 ptp85 -154.74 134.33 12.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.334 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' B' ' 30' ' ' ILE . 98.6 mt -87.01 125.56 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.667 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.762 HD12 HG21 ' B' ' 70' ' ' VAL . 88.5 mt -117.2 141.33 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.484 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.447 ' CE2' HG12 ' B' ' 61' ' ' ILE . 21.5 t80 -158.24 150.46 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.652 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.95 31.42 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.66 32.38 74.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.616 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.529 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.4 ttpm? -172.71 142.48 1.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.231 0.515 . . . . 0.0 111.816 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.551 ' HB2' HD13 ' A' ' 47' ' ' LEU . 14.1 tt0 -56.37 131.57 48.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.757 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' B' ' 45' ' ' PHE . 85.1 mt -82.61 129.73 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.46 133.06 49.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.24 -41.56 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 43.7 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.83 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.569 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.9 mmt-85 -146.98 132.9 19.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.897 0.379 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.1 p -74.18 155.29 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' B' ' 1' ' ' MET . 93.3 mt -53.06 -41.11 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.938 0.399 . . . . 0.0 110.83 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -58.6 -31.38 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.02 -56.34 14.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.459 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.454 ' HB2' HG13 ' B' ' 61' ' ' ILE . 54.9 m-85 -82.64 26.04 0.6 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 49.37 33.08 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 56' ' ' LEU . 63.9 mt -66.81 126.24 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.992 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -74.97 -138.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.782 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -120.71 142.38 49.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 61.32 40.41 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -69.53 139.11 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 75.4 m -88.41 87.25 7.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.535 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -85.91 134.06 33.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.128 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 37.3 m170 -89.13 120.08 30.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.411 ' HB2' ' CG1' ' B' ' 5' ' ' VAL . 64.7 tp -83.56 81.07 8.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.442 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.762 HG21 HD12 ' B' ' 44' ' ' ILE . 83.1 t -71.91 122.42 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.891 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.402 HD22 HG21 ' B' ' 36' ' ' ILE . 90.4 mt -99.72 137.39 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.517 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.719 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 51.7 ttt-85 -68.12 -105.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.654 HD13 ' N ' ' B' ' 74' ' ' ARG . 2.5 tm? -62.26 132.87 54.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.787 0.327 . . . . 0.0 110.124 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.654 ' N ' HD13 ' B' ' 73' ' ' LEU . 3.7 mmm180 -68.34 -135.1 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.53 -135.08 35.9 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.537 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.508 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.821 0.344 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.11 -123.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 58.11 36.07 25.62 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.632 0.253 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CE1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -69.96 -22.86 63.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.482 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 46.7 mt-10 -50.22 -37.46 35.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -60.5 -45.21 94.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HB3' HD21 ' A' ' 39' ' ' LEU . 25.7 mmtp -59.42 -39.12 82.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.861 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.5 tp -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.898 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 m -58.66 -47.15 85.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.542 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.897 HG21 ' HG ' ' B' ' 8' ' ' LEU . 1.7 mp -57.75 -40.29 74.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.005 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' A' ' 28' ' ' LEU . 93.5 mt -60.64 -42.11 96.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.1 mtt -63.24 -53.94 45.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 8.4 t70 -65.59 -44.43 86.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.398 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.621 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 57.9 ttm -60.43 -45.5 93.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.147 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.715 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 33.3 m-85 -106.59 89.93 4.57 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.23 51.32 3.65 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.701 2.267 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.81 -39.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 27' ' ' LYS . 66.4 mt -63.32 133.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -65.3 145.95 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.84 -42.38 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 30' ' ' VAL . 52.8 m -59.13 -48.52 81.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.141 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.801 ' HD2' HG23 ' A' ' 23' ' ' ILE . 4.9 ttmp? -57.84 -43.09 85.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.098 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.785 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -60.1 -46.55 89.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.62 -40.24 96.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 26' ' ' SER . 87.9 t -63.62 -56.87 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.785 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 6.3 p80 -60.86 -42.05 97.08 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.424 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 53.4 tp -57.84 -48.71 78.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.351 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 9' ' ' HIS . 89.9 mt -68.52 -47.21 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 57.0 mt-10 -53.94 -45.52 71.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -64.73 -76.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.14 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 50.9 t-20 171.08 36.04 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.117 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.17 38.74 30.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.81 138.24 47.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.701 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 12' ' ' LYS . 86.6 mt -85.46 -56.52 3.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.77 -42.54 71.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 41' ' ' LEU . 2.5 tm? -69.71 -60.51 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.317 . . . . 0.0 111.516 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 21.5 m -57.46 -55.12 38.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.261 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.715 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 80.8 mt -57.77 -41.85 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -46.88 60.01 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.859 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.6 tt -67.56 -38.82 84.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.275 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.9 mt -60.28 -38.23 82.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.05 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.976 HD22 ' HA ' ' B' ' 48' ' ' LYS . 48.2 mt -48.66 -47.42 40.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.882 0.373 . . . . 0.0 111.138 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -69.26 -39.37 78.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -53.89 -50.71 65.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.236 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.669 HD21 ' HA3' ' B' ' 47' ' ' GLY . 51.4 t-20 -66.9 125.64 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -177.19 128.6 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.586 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.22 41.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.861 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 54' ' ' SER . 39.6 ttmt 57.17 -120.66 1.38 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 68.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.803 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.609 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.9 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.044 0.45 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.41 157.99 35.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.238 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 pt -148.1 130.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.556 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -77.1 142.18 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.478 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.6 t -129.61 80.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.988 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.633 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 63.6 tttp -77.08 135.31 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.522 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.5 p -101.22 137.21 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 15' ' ' ILE . 10.3 mp -52.11 -34.56 44.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.695 0.283 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -58.74 -53.71 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.44 57.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.815 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -160.59 122.93 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.21 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.1 m -103.03 138.71 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.784 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' B' ' 15' ' ' LEU . 57.1 mt -131.76 126.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 111.206 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.69 ' C ' HD22 ' B' ' 15' ' ' LEU . 88.5 m -93.91 133.96 36.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.474 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.69 HD22 ' C ' ' B' ' 14' ' ' THR . 3.3 mm? -134.36 142.73 47.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -94.57 129.62 41.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 1' ' ' MET . 22.2 m -149.43 136.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.976 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 20' ' ' SER . 39.6 tt0 -66.43 150.84 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.9 p -54.08 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.793 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.479 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 38.6 t -90.73 33.07 0.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.46 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 22' ' ' THR . 27.9 t70 -83.67 -141.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.64 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -166.08 144.36 5.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.929 0.395 . . . . 0.0 111.038 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.6 mm -50.97 -40.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.158 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.06 -43.86 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.311 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.64 ' H ' HG23 ' B' ' 22' ' ' THR . 32.1 m-20 -59.08 -44.95 91.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.911 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.505 HG22 HG11 ' B' ' 17' ' ' VAL . 45.4 t -59.39 -45.1 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.583 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.22 88.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -59.54 -46.15 89.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.097 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -58.7 -47.8 83.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.433 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.1 -36.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.4 tt0 -60.3 -44.19 95.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.14 -44.24 72.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.546 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.668 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.1 mtpm? -65.89 -62.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.32 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.086 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 79.51 37.98 22.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.849 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -110.11 134.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.03 144.54 56.95 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.561 2.174 . . . . 0.0 111.976 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.2 Cg_endo -53.36 -40.51 77.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.753 2.302 . . . . 0.0 112.41 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.02 -40.98 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.783 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -79.09 35.44 0.26 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.257 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.913 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -166.66 146.37 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.935 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.803 ' HD2' ' HA ' ' B' ' 73' ' ' LEU . 40.1 mtp180 -143.81 123.47 13.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 69.2 mt -90.85 83.21 5.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 47' ' ' LEU . 79.5 mt -81.67 137.54 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.723 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.53 ' HE2' HG12 ' B' ' 61' ' ' ILE . 27.5 t80 -161.31 144.61 12.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.878 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.11 -31.54 0.19 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.187 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.669 ' HA3' HD21 ' A' ' 50' ' ' ASN . . . 174.66 -24.39 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.052 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.976 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.37 167.79 17.4 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.931 0.396 . . . . 0.0 111.684 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 20.6 pt20 -53.08 129.93 32.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.202 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HD2' ' B' ' 45' ' ' PHE . 50.4 mt -76.24 139.53 41.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.629 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.54 134.56 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -76.37 46.35 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.678 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.34 47.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.408 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 23' ' ' ILE . 27.1 mmm180 -145.63 133.28 20.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.425 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.5 p -63.9 148.75 48.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.6 -37.45 50.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -55.22 -36.22 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.867 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.41 -56.57 15.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.561 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HB2' HG13 ' B' ' 61' ' ' ILE . 50.7 m-85 -82.46 11.43 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.619 0.247 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 50.3 38.52 17.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.53 HG12 ' HE2' ' B' ' 45' ' ' PHE . 71.7 mt -63.64 128.9 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.422 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -80.75 147.75 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.744 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -63.12 138.21 58.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 65.03 39.25 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.897 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' B' ' 66' ' ' THR . 49.7 m -80.3 -148.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.66 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.537 ' C ' HD12 ' B' ' 67' ' ' LEU . 87.8 m -161.03 130.98 4.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.032 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.537 HD12 ' C ' ' B' ' 66' ' ' THR . 6.6 mp -123.41 144.43 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.624 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 36.3 m170 -97.02 128.7 44.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.174 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' B' ' 41' ' ' GLN . 63.8 tp -103.26 96.62 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.56 HG21 HD12 ' B' ' 44' ' ' ILE . 45.8 t -74.29 134.21 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.597 ' HG ' ' HG3' ' B' ' 72' ' ' ARG . 62.9 tp -72.13 124.68 25.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.635 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.783 ' HA ' ' HA ' ' B' ' 40' ' ' GLN . 95.9 mtt180 57.19 166.69 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.487 0.661 . . . . 0.0 112.061 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.803 ' HA ' ' HD2' ' B' ' 42' ' ' ARG . 15.0 tp -74.83 -147.91 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.366 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.745 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 45.0 mmm-85 -59.41 136.37 57.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.656 0.265 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.92 -138.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.559 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 6' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.821 0.343 . . . . 0.0 111.142 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -78.71 -41.25 31.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 66.65 38.37 4.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -23.47 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 109.942 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -50.1 -35.61 26.26 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -59.73 -48.39 81.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.676 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.14 -40.28 80.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 178.218 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 16' ' ' LEU . 45.6 tp -62.89 -40.15 96.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.798 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -59.31 -46.55 88.28 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.91 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.43 -41.99 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 13' ' ' LEU . 87.5 mt -59.58 -41.42 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 60.2 mtt -61.88 -55.78 26.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.429 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.564 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 63.3 t0 -65.22 -42.86 93.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.342 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 55.2 ttm -59.47 -42.07 91.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.684 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 49.6 m-85 -113.85 76.97 3.39 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 73.9 Cg_endo -74.33 51.64 2.58 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.745 2.297 . . . . 0.0 112.562 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.2 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.141 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -64.69 135.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -60.39 139.66 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -56.06 -34.27 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.8 p -53.15 -50.2 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.48 -44.44 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.3 mt -60.34 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.04 -40.91 91.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.226 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 26' ' ' SER . 81.4 t -61.83 -55.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.106 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.729 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.9 p80 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.346 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 45.0 tp -58.24 -47.63 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.38 -48.94 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.14 -47.44 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.87 40.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 43.75 47.06 6.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 32' ' ' LEU . 12.0 p-10 41.56 39.8 1.2 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.572 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.3 140.82 32.25 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.606 0.241 . . . . 0.0 110.622 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' HG3' ' A' ' 12' ' ' LYS . 87.8 mt -98.0 -55.19 2.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.33 -47.24 85.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.42 -56.21 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.569 HG21 ' ND1' ' A' ' 31' ' ' HIS . 56.3 m -56.77 -55.42 34.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.684 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 77.4 mt -64.0 -41.41 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.16 -48.96 31.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.7 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 45' ' ' LEU . 6.6 tt -67.46 -40.47 85.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.503 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.38 -37.88 73.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.908 HD22 ' HA ' ' B' ' 48' ' ' LYS . 35.9 mt -61.91 -46.99 86.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.039 0.447 . . . . 0.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -81.35 41.71 0.63 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.24 -55.96 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.46 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -83.75 -51.29 7.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.579 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 65.94 132.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.975 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -58.88 -44.61 91.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.086 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HD3' ' N ' ' A' ' 53' ' ' LYS . 2.7 mppt? -63.04 136.81 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.921 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.321 0.582 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.581 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 84.9 mt-30 -69.86 167.52 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.69 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.491 HD13 HG21 ' B' ' 17' ' ' VAL . 33.5 pt -149.27 135.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 4.3 m-85 -82.73 144.87 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.639 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.83 78.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.88 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 86.2 tttt -73.65 125.65 28.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.887 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -84.23 145.9 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.903 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.954 HD11 HG22 ' B' ' 70' ' ' VAL . 37.9 mt -50.09 -36.98 31.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.751 0.31 . . . . 0.0 110.636 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -62.38 -54.36 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.92 -40.82 0.35 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.125 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -55.18 130.98 44.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.581 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 90.3 m -113.65 133.93 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.684 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -116.51 128.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 111.587 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -99.84 136.22 40.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' HG12 ' B' ' 3' ' ' ILE . 40.9 mt -144.77 138.15 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.458 . . . . 0.0 111.136 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 89.0 tt0 -86.12 134.05 33.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.723 HG11 HG22 ' B' ' 26' ' ' VAL . 28.9 m -150.43 134.26 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.585 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 88.3 tt0 -67.44 145.66 54.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.58 ' HA ' HD12 ' B' ' 56' ' ' LEU . 57.5 m -77.29 42.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -160.44 40.45 0.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.585 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.4 m-20 -121.56 -121.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.705 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.587 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -167.46 145.78 4.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 111.183 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.518 HG22 ' HE3' ' B' ' 27' ' ' LYS . 45.8 mm -51.45 -37.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -55.78 -42.12 75.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.587 ' H ' HG23 ' B' ' 22' ' ' THR . 52.8 t-20 -57.26 -45.16 84.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.301 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.723 HG22 HG11 ' B' ' 17' ' ' VAL . 59.8 t -59.83 -46.03 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.461 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 31' ' ' GLN . 97.1 mttt -57.69 -44.45 85.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.398 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -58.14 -44.05 87.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.508 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 54.5 mtpt -59.56 -41.21 89.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.4 mt -60.65 -43.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 27' ' ' LYS . 15.7 mt-30 -58.05 -54.51 46.12 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.633 0.73 . . . . 0.0 110.531 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.01 -38.13 78.51 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -73.09 -76.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.029 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.18 -42.44 96.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.784 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.13 57.74 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.343 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.5 HG23 ' NE2' ' B' ' 40' ' ' GLN . 76.7 mt -143.39 130.21 10.54 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.539 0.209 . . . . 0.0 111.143 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.663 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 18.4 Cg_endo -59.12 143.13 99.9 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.547 2.165 . . . . 0.0 112.213 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.49 -32.38 93.59 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.97 2.446 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 8.4 t70 -55.77 -47.44 77.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.845 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.663 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 19.6 pt20 -89.52 38.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.592 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 3.1 pt20 -167.96 137.2 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 111.0 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.592 ' HD2' ' O ' ' B' ' 41' ' ' GLN . 23.5 mmm180 -134.16 124.78 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.291 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.8 mp -84.55 121.36 27.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.145 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 72.8 mt -108.4 142.64 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.223 0.535 . . . . 0.0 111.911 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' CE2' HG12 ' B' ' 61' ' ' ILE . 29.5 t80 -152.9 145.77 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.191 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.571 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.98 -65.27 0.3 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.594 0.559 . . . . 0.0 110.884 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.26 17.23 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.707 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.908 ' HA ' HD22 ' A' ' 47' ' ' LEU . 24.2 pttm -173.72 156.71 2.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.901 0.381 . . . . 0.0 111.23 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.592 ' HB3' HD13 ' A' ' 47' ' ' LEU . 17.8 pt20 -58.48 126.41 27.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.411 ' HB2' HG21 ' B' ' 23' ' ' ILE . 82.6 mt -70.48 137.02 49.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.041 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.93 139.23 56.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 2.3 p30 -77.88 46.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.96 50.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -145.75 135.52 23.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.908 0.385 . . . . 0.0 111.333 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.2 p -65.34 153.65 40.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.383 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' B' ' 19' ' ' SER . 94.0 mt -55.61 -41.72 73.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -59.28 -29.19 67.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.729 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -52.26 -57.31 10.1 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.671 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.88 22.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.59 0.233 . . . . 0.0 111.068 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 49.37 38.11 13.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.0 110.34 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.6 mt -62.3 127.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.848 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' B' ' 65' ' ' SER . 47.6 mm-40 -84.97 156.55 21.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.325 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 14.8 ptmm? -53.17 146.29 11.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 24.7 pt-20 45.36 40.66 5.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.799 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.9 t -71.17 138.5 49.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.2 m -86.18 130.76 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.077 0.465 . . . . 0.0 112.065 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 ' C ' ' B' ' 66' ' ' THR . 8.2 mp -123.41 135.5 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.941 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.564 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 35.8 m170 -91.79 116.17 28.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.007 0.432 . . . . 0.0 111.98 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' B' ' 8' ' ' LEU . 63.9 tp -84.97 128.78 34.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.954 HG22 HD11 ' B' ' 8' ' ' LEU . 49.7 t -114.91 118.76 59.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.471 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 40' ' ' GLN . 54.0 tp -89.46 127.83 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.583 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 45.8 mtp85 -80.16 128.38 33.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 73' ' ' LEU . 6.8 mp -79.39 142.26 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.789 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -55.39 -47.5 75.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.79 -135.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.545 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.521 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.7 146.94 54.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -155.32 34.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.247 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -79.42 -23.59 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.054 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -50.66 -34.75 27.65 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.319 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' HG12 ' A' ' 15' ' ' ILE . 48.2 t -59.46 -49.28 78.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.906 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.8 mttm -63.74 -37.53 87.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.451 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -41.38 95.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.255 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -61.42 -42.23 98.41 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.93 HG21 HD12 ' B' ' 8' ' ' LEU . 21.7 mm -55.5 -41.44 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.51 -42.38 99.47 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.815 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -54.82 -52.3 63.12 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.005 0.431 . . . . 0.0 110.025 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.33 -29.32 64.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 57.6 tpp -63.8 -39.01 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.664 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CG ' HD12 ' A' ' 23' ' ' ILE . 17.7 m-85 -130.78 111.97 16.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.337 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.9 -41.86 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.311 2.008 . . . . 0.0 112.374 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.78 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.0 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.788 HG23 ' HD3' ' A' ' 27' ' ' LYS . 59.3 mt -64.52 132.03 30.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.983 0.421 . . . . 0.0 111.615 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.9 p -71.52 146.84 48.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.73 -40.48 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.6 p -58.65 -47.41 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.788 ' HD3' HG23 ' A' ' 23' ' ' ILE . 61.9 tttm -59.01 -48.76 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.5 tt0 -62.65 -41.28 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.289 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 26' ' ' SER . 61.8 t -60.16 -49.67 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -59.61 -45.16 92.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.242 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 9' ' ' HIS . 39.5 tp -58.69 -39.8 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.5 mt -71.5 -40.56 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.972 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 50.6 mt-10 -51.42 -63.23 1.2 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 75.5 m-80 -63.05 -63.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 110.467 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 15.6 t-20 172.47 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.026 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 p30 173.43 33.01 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.558 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.92 140.12 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 12' ' ' LYS . 74.8 mt -91.26 -50.58 5.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.16 -40.39 89.73 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.442 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.42 -58.01 4.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.454 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 87.4 m -56.05 -53.3 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 66.4 mt -62.14 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.41 -42.52 57.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.216 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 -46.86 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.901 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mt -61.17 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.109 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.551 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.0 mt -55.02 -41.24 71.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 87.2 tttt -82.08 39.54 0.58 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 86.7 tt0 -71.74 -50.66 28.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -77.34 67.25 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.07 -44.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.926 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.18 -42.11 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 4.9 ttmp? -59.83 140.92 56.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.025 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.0 mt-30 -77.37 147.07 36.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.915 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -137.3 138.01 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -79.51 145.76 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.86 97.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.8 ' HG2' HG22 ' B' ' 12' ' ' THR . 28.4 mtpp -78.23 139.5 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.565 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 74.6 p -93.54 145.9 24.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.553 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.014 HD22 HG13 ' B' ' 70' ' ' VAL . 45.1 tp -50.48 -35.88 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -70.53 -61.98 1.56 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.89 65.78 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.148 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -159.52 125.36 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 111.233 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.8 HG22 ' HG2' ' B' ' 6' ' ' LYS . 47.2 p -87.89 142.18 28.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.244 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' B' ' 15' ' ' LEU . 59.0 mt -132.05 118.6 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.38 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.626 ' C ' HD22 ' B' ' 15' ' ' LEU . 55.4 m -84.12 132.09 34.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.535 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.626 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.04 153.15 49.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.605 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 5.6 tp10 -107.27 124.28 49.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.915 HG22 HD12 ' B' ' 3' ' ' ILE . 31.2 m -150.56 133.4 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.04 0.448 . . . . 0.0 111.604 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.557 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 42.2 tp10 -67.87 150.82 48.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.542 ' HA ' HD12 ' B' ' 56' ' ' LEU . 37.0 t -77.15 41.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -163.53 32.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.963 0.411 . . . . 0.0 110.946 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.557 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.2 m-20 -98.2 -122.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.678 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.1 t -169.09 147.46 3.85 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.576 0.227 . . . . 0.0 110.94 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 54' ' ' ARG . 44.8 mm -51.18 -43.88 28.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 8.0 t70 -55.16 -39.91 70.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.275 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.678 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -56.75 -44.67 81.96 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.955 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.39 -39.26 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 48.7 mmtm -57.95 -47.1 83.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.792 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 50.1 m -63.18 -43.29 98.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.754 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.601 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.2 mtpm? -62.36 -44.58 96.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.375 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.57 HD12 HD21 ' B' ' 43' ' ' LEU . 83.5 mt -64.27 -50.48 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.608 ' HG3' ' H ' ' B' ' 32' ' ' ASP . 9.5 pt20 -61.24 -54.97 37.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.909 0.385 . . . . 0.0 111.631 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.608 ' H ' ' HG3' ' B' ' 31' ' ' GLN . 64.0 t0 -54.85 -40.57 69.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.83 -69.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 112.027 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.67 -54.53 13.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.841 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.32 61.94 0.34 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.374 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.597 HD12 HD21 ' B' ' 69' ' ' LEU . 69.5 mt -136.9 132.96 18.52 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-N 116.789 0.294 . . . . 0.0 111.317 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 54.2 Cg_exo -52.03 137.31 53.45 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.439 2.093 . . . . 0.0 112.026 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.83 -44.29 31.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.701 2.267 . . . . 0.0 112.822 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.48 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 35.4 p-10 -64.4 -40.05 95.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.794 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.576 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 86.0 mt-30 -72.98 -46.86 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.498 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.49 134.71 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.623 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.533 ' HE ' ' HB3' ' B' ' 49' ' ' GLN . 79.2 ttt180 -134.42 114.22 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.506 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.57 HD21 HD12 ' B' ' 30' ' ' ILE . 8.7 mp -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.381 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 47' ' ' LEU . 91.2 mt -100.73 142.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.841 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -164.36 141.01 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.785 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.2 33.59 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.27 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.11 72.52 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.838 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.551 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -173.14 144.56 1.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.304 0.552 . . . . 0.0 111.912 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.549 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 8.4 pt20 -58.4 137.13 57.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.003 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' ' 45' ' ' PHE . 83.3 mt -75.78 130.84 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.785 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 51.6 mt-10 -66.86 136.09 54.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -66.17 138.9 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.655 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.489 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 77.55 41.32 20.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.126 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.574 ' O ' HG12 ' B' ' 23' ' ' ILE . 38.7 mmt180 -127.29 132.81 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 0.0 111.039 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -68.37 145.65 53.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' B' ' 19' ' ' SER . 88.6 mt -54.44 -40.96 68.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -59.76 -32.48 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.419 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.88 -54.84 32.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.273 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.48 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.0 m-85 -82.7 20.76 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.822 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 49.49 34.14 6.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.5 mt -69.18 126.43 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.1 -155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.09 145.07 29.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 88.7 mt-10 60.1 40.32 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 -151.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 88.1 m -158.64 128.96 5.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.73 134.96 53.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.0 m-70 -95.81 127.67 42.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 111.74 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.597 HD21 HD12 ' B' ' 36' ' ' ILE . 68.7 tp -95.67 126.97 41.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.895 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.014 HG13 HD22 ' B' ' 8' ' ' LEU . 70.2 t -141.27 133.49 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.106 0.479 . . . . 0.0 111.157 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 59.5 tp -75.51 133.93 40.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.328 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 99.7 mtt180 -75.12 -134.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.691 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.76 138.18 58.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.974 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 74' ' ' ARG . 28.0 tpt180 -168.15 47.22 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 0.0 110.217 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.61 137.06 44.51 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.735 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.6 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.671 0.272 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -67.05 130.92 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.94 41.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.628 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.12 -23.81 63.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.457 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 14.9 pt-20 -50.66 -38.63 47.56 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.637 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -58.32 -47.93 82.16 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HB3' HD21 ' A' ' 39' ' ' LEU . 62.3 mttp -60.97 -38.21 85.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.361 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.0 tp -60.09 -39.26 85.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -59.4 -46.25 89.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.293 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG22 ' SD ' ' A' ' 19' ' ' MET . 7.0 mm -56.34 -42.82 75.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.762 ' HB3' HD13 ' A' ' 28' ' ' LEU . 96.7 mt -58.68 -41.51 86.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.42 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.574 ' SD ' ' HD3' ' A' ' 25' ' ' LYS . 75.4 mtm -62.08 -51.37 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.4 t70 -67.71 -36.28 80.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.094 0.473 . . . . 0.0 110.483 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' HD13 ' A' ' 43' ' ' ILE . 6.9 mtt -69.2 -33.14 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.509 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.9 m-85 -136.79 64.92 52.0 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 71.4 Cg_exo -49.83 -42.28 44.66 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.713 2.275 . . . . 0.0 112.584 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.91 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 20' ' ' PHE . 72.5 mt -68.97 134.26 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -65.2 140.95 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HD3' ' SD ' ' A' ' 17' ' ' MET . 25.7 ttpp -56.26 -37.56 69.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 30' ' ' VAL . 80.6 p -55.65 -48.35 75.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.164 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.9 ttmp? -61.03 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 16' ' ' LEU . 85.8 mt -57.82 -40.05 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.62 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 52.0 tt0 -62.91 -42.58 99.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 26' ' ' SER . 68.6 t -59.06 -49.26 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -60.36 -41.5 93.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 9' ' ' HIS . 56.0 tp -61.14 -42.58 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 89.7 mt -62.74 -44.46 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 56.5 mt-10 -58.53 -54.5 46.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.263 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -81.1 36.71 0.42 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 64.48 -73.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.271 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 177.37 36.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -97.15 130.13 44.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 12' ' ' LYS . 68.6 mt -79.59 -43.51 22.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.001 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.24 -50.78 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.98 -57.6 5.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 46' ' ' LEU . 91.8 m -55.94 -62.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.444 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.803 HD11 HD22 ' A' ' 39' ' ' LEU . 63.2 mt -57.37 -40.17 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.96 -46.0 55.79 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.854 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.8 -39.04 76.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.808 0.337 . . . . 0.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 42' ' ' THR . 4.1 mm? -56.38 -39.04 72.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' B' ' 49' ' ' GLN . 47.3 mt -54.86 -49.34 71.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.844 0.354 . . . . 0.0 110.765 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -83.86 43.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -71.08 -46.97 60.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.44 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -61.47 -51.08 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.447 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.82 131.13 46.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.107 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -177.04 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.725 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -74.99 -147.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.884 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.879 0.371 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.65 140.69 56.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.739 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.402 HG12 ' O ' ' B' ' 15' ' ' LEU . 35.7 pt -142.16 133.29 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.577 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.65 134.66 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.712 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -116.11 85.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 88.0 tttt -75.46 135.34 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.277 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -105.29 153.34 21.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.873 HD22 HD13 ' A' ' 39' ' ' LEU . 88.6 mt -49.95 -42.0 47.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -64.08 -61.34 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.15 59.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.54 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 13' ' ' ILE . 24.1 ttmm -141.71 123.2 14.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.7 p -107.18 76.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.765 HD11 ' HD3' ' B' ' 11' ' ' LYS . 46.1 mm -69.81 123.47 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.686 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.0 m -91.09 134.93 34.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.686 HD22 ' C ' ' B' ' 14' ' ' THR . 3.6 mm? -133.48 145.27 50.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.442 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.64 126.5 44.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.743 HG11 HG22 ' B' ' 26' ' ' VAL . 28.1 m -152.63 140.53 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mp0 -65.76 144.66 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.364 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.593 ' HA ' HD12 ' B' ' 56' ' ' LEU . 80.5 p -57.67 -42.33 83.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.765 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -93.76 33.28 1.31 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.5 ' O ' HG22 ' B' ' 55' ' ' THR . 8.5 t0 -90.83 -123.74 0.07 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.377 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.545 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.4 t -166.45 141.86 4.53 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.9 mm -52.32 -41.53 34.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.38 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.09 -42.73 63.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.545 ' H ' HG23 ' B' ' 22' ' ' THR . 46.7 t30 -61.92 -41.66 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.743 HG22 HG11 ' B' ' 17' ' ' VAL . 60.3 t -57.56 -50.55 76.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 96.3 mttt -61.51 -36.45 80.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.02 -47.76 84.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.629 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -62.64 -45.06 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.95 -41.57 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.3 tt0 -62.44 -48.31 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -38.37 86.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.407 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.72 -72.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.3 -39.4 62.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.75 34.35 9.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.184 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -91.81 132.94 31.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.411 0.148 . . . . 0.0 111.014 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 53.2 Cg_exo -54.87 133.81 59.75 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.277 1.984 . . . . 0.0 112.03 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.57 -39.7 80.61 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.85 -42.72 80.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' B' ' 37' ' ' PRO . 73.5 mt-30 -78.55 34.33 0.21 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.704 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.84 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.9 pt20 -162.59 136.99 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' B' ' 42' ' ' ARG . 1.0 OUTLIER -130.61 123.48 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.593 HD11 HD23 ' B' ' 67' ' ' LEU . 58.5 tp -79.12 129.0 34.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.65 HD13 HD21 ' A' ' 47' ' ' LEU . 96.1 mt -131.55 136.38 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.52 . . . . 0.0 111.326 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 22.4 t80 -157.79 151.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.195 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.484 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.66 -65.81 0.26 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.636 0.585 . . . . 0.0 110.724 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.04 23.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.329 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -173.34 164.07 4.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.215 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.868 ' HB2' HD13 ' A' ' 47' ' ' LEU . 41.5 tt0 -64.8 128.54 36.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 76.2 mt -76.72 135.57 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.259 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.32 138.56 58.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.63 50.47 1.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.28 50.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.54 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.1 mmt180 -147.76 137.82 22.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.937 0.399 . . . . 0.0 111.176 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 21' ' ' ASP . 80.8 p -63.38 151.4 41.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.856 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.731 HD11 HG23 ' B' ' 17' ' ' VAL . 86.9 mt -58.01 -44.85 87.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.004 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -57.71 -29.01 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.701 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -53.95 -53.4 53.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.123 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' B' ' 61' ' ' ILE . 32.8 m-85 -83.78 17.77 2.2 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.577 0.227 . . . . 0.0 110.859 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 51.42 37.11 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 0.0 110.305 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' B' ' 59' ' ' TYR . 74.8 mt -64.08 126.72 23.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.409 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -87.44 146.63 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.843 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -49.6 141.4 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.041 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 60.94 38.06 17.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.746 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.5 p -68.53 142.25 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -96.06 87.26 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.697 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 43' ' ' LEU . 9.0 mp -85.76 134.1 33.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.159 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.574 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.3 m170 -96.32 130.37 43.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' B' ' 41' ' ' GLN . 66.2 tp -110.46 120.63 43.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.661 HG22 HD11 ' B' ' 8' ' ' LEU . 58.8 t -96.74 118.62 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.43 136.42 34.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -68.84 -51.51 39.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.3 134.33 48.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.55 136.9 57.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.821 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.36 45.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.393 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.468 -1.184 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.6 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -168.18 139.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.019 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 t0 62.3 41.14 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -74.68 -23.93 58.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.97 -35.53 34.17 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -59.6 -46.0 90.24 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 109.505 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.6 mptp? -63.47 -40.25 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.24 -37.31 77.23 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.076 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 11' ' ' SER . 49.2 m -60.48 -45.13 94.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.49 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.844 HG21 HD12 ' B' ' 8' ' ' LEU . 10.1 mm -59.34 -39.01 77.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.8 mt -59.48 -45.14 92.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.411 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 68.8 mtm -63.87 -49.21 73.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.698 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.52 -48.01 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.398 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.632 ' SD ' HD13 ' A' ' 43' ' ' ILE . 50.5 ttm -58.18 -45.01 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.642 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 17.6 m-85 -105.0 90.64 3.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 19' ' ' MET . 98.9 Cg_endo -78.36 44.58 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.57 2.18 . . . . 0.0 112.568 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.6 41.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.8 mt -149.06 133.15 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.4 p -62.55 138.73 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.7 -41.76 77.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.7 m -55.87 -46.96 78.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.8 ttmp? -59.63 -45.55 91.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -58.08 -42.35 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.22 -42.9 99.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 26' ' ' SER . 65.4 t -58.22 -52.11 62.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.0 -43.37 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.039 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.18 -47.47 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.554 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.82 -48.22 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 69.2 mm-40 -52.29 -46.3 65.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.685 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 30.4 m120 -64.86 -78.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.36 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 15.9 p-10 166.96 38.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.296 0.373 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 57.75 50.47 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.75 128.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' CB ' HD21 ' B' ' 8' ' ' LEU . 61.2 mt -76.98 -42.92 36.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.698 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -54.2 -47.34 72.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.605 0.24 . . . . 0.0 111.196 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.49 -59.64 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.842 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.52 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.7 m -55.65 -63.75 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.289 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.642 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 66.0 mt -52.3 -42.41 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.796 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -52.3 -41.38 54.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.301 -0.952 . . . . 0.0 110.79 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.628 HD12 ' HE3' ' A' ' 48' ' ' LYS . 39.2 tp -67.36 -43.7 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.307 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -55.64 -45.21 77.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.233 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' B' ' 49' ' ' GLN . 48.4 mt -57.47 -47.14 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.121 0.486 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.628 ' HE3' HD12 ' A' ' 45' ' ' LEU . 60.5 pttt -88.11 42.21 1.05 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.82 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 4.3 tm-20 -62.62 -50.75 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.682 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -67.64 -45.1 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 57.8 47.74 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.14 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -175.75 137.26 0.34 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.355 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 3.1 mppt? -56.22 133.54 52.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.902 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 23.6 ptm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.47 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 18.1 pt20 -85.48 144.91 27.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.753 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -128.82 138.76 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.504 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.433 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.4 m-85 -83.36 145.88 28.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.579 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.443 HG21 HD11 ' B' ' 30' ' ' ILE . 59.5 t -140.61 92.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' B' ' 12' ' ' THR . 39.9 ttpt -93.59 133.86 36.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.634 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -74.57 148.54 40.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.548 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.844 HD12 HG21 ' A' ' 15' ' ' ILE . 25.9 tp -48.27 -34.96 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -66.46 -58.76 4.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.34 64.67 0.01 OUTLIER Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 60.2 tttm -154.15 109.86 3.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.066 0.433 . . . . 0.0 111.369 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.722 HG22 ' HB2' ' B' ' 6' ' ' LYS . 41.4 p -80.92 142.4 33.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.592 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' B' ' 15' ' ' LEU . 48.9 mt -134.44 119.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.681 ' C ' HD22 ' B' ' 15' ' ' LEU . 74.2 m -90.73 133.75 34.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.792 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.681 HD22 ' C ' ' B' ' 14' ' ' THR . 3.7 mm? -133.84 148.58 51.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -96.07 122.45 38.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.817 HG11 HG22 ' B' ' 26' ' ' VAL . 26.7 m -152.84 138.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.968 0.413 . . . . 0.0 111.714 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.88 147.04 53.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.987 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 42.7 t -60.91 -40.47 93.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -87.89 29.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.42 ' OD1' ' ND2' ' B' ' 25' ' ' ASN . 45.0 t0 -91.36 -134.73 0.13 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.08 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.662 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.1 t -161.84 146.43 12.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.719 0.295 . . . . 0.0 111.262 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.8 mm -50.63 -40.19 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.193 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.25 -43.53 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.666 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.662 ' H ' HG23 ' B' ' 22' ' ' THR . 29.6 m-20 -66.07 -44.74 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.548 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.817 HG22 HG11 ' B' ' 17' ' ' VAL . 58.8 t -58.56 -53.57 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.646 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD13 ' B' ' 43' ' ' LEU . 13.1 mptt -63.8 -28.46 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.573 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 46.3 t -60.96 -48.66 80.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.97 -42.61 98.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.566 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.489 HG12 ' HG ' ' B' ' 15' ' ' LEU . 67.9 mt -61.96 -34.72 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.145 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 10.6 tp-100 -61.71 -49.12 77.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.49 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.88 -36.09 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.98 -68.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.087 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -80.07 -41.71 25.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.3 37.0 11.48 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.976 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.01 132.11 28.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.43 0.157 . . . . 0.0 110.798 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -52.03 138.68 52.83 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.592 2.194 . . . . 0.0 112.271 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.65 -45.24 6.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.893 2.395 . . . . 0.0 112.813 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.5 -45.19 94.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.257 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.6 OUTLIER -63.94 -49.91 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.571 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -65.55 131.68 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 111.224 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -116.18 119.64 36.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.691 HD13 ' HE2' ' B' ' 27' ' ' LYS . 17.5 mt -77.51 125.35 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.579 HG21 ' SD ' ' A' ' 19' ' ' MET . 90.8 mt -136.32 134.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.482 0.658 . . . . 0.0 111.835 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD11 ' B' ' 50' ' ' LEU . 38.8 t80 -168.37 142.6 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.236 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.26 22.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 0.0 110.071 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.56 33.31 66.51 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.174 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -152.63 139.49 19.02 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.611 0.243 . . . . 0.0 110.868 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.687 ' HB2' HD13 ' A' ' 47' ' ' LEU . 52.8 tt0 -65.43 126.86 29.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.284 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' B' ' 45' ' ' PHE . 76.8 mt -83.84 130.95 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.911 0.386 . . . . 0.0 111.446 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -81.29 137.48 35.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 53.5 m-20 -59.85 -49.39 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.35 60.94 4.48 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.681 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 5.7 tpm_? -151.68 136.93 17.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.553 ' H ' ' HE ' ' B' ' 54' ' ' ARG . 74.9 p -74.51 149.45 40.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.239 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 61' ' ' ILE . 67.6 mt -57.36 -39.01 75.07 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.15 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -52.83 -36.95 59.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.29 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 60.3 t0 -56.08 -57.15 13.36 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.485 ' HB2' HG13 ' B' ' 61' ' ' ILE . 93.7 m-85 -78.07 13.13 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.237 -0.185 . . . . 0.0 111.469 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 49.0 34.71 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.9 mt -64.95 122.94 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.54 -157.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -93.61 141.54 28.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 50.7 mt-10 58.83 36.72 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -73.7 135.81 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.468 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.5 m -87.75 127.03 35.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.468 HD12 ' C ' ' B' ' 66' ' ' THR . 7.5 mp -116.94 131.82 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.37 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.583 ' CB ' ' HE2' ' A' ' 19' ' ' MET . 40.5 m170 -89.95 129.07 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -113.6 107.91 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.108 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.743 HG13 HD22 ' B' ' 8' ' ' LEU . 96.6 t -93.83 123.25 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.01 135.79 39.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -62.36 -47.15 85.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.39 138.3 58.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.411 ' HG3' HH11 ' B' ' 74' ' ' ARG . 50.9 mtm-85 -79.5 45.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.11 133.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.497 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.537 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.837 0.351 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -145.54 -33.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.589 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -75.63 39.35 0.16 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.29 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.525 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.34 -24.14 66.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 95.4 mt-10 -51.1 -36.68 41.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.4 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -58.3 -47.44 83.67 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 39' ' ' LEU . 93.1 mttt -62.69 -38.92 92.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.051 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.7 tp -58.01 -39.41 78.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.239 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -60.8 -45.04 95.96 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.824 HG21 HD12 ' B' ' 8' ' ' LEU . 16.6 mm -56.88 -39.22 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.697 ' HB3' HD13 ' A' ' 28' ' ' LEU . 74.0 mt -61.56 -45.5 93.87 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.953 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.9 mtp -54.97 -52.55 62.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -71.01 -29.98 66.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.437 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.4 tpp -61.55 -44.14 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.579 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.5 m-85 -120.55 109.69 36.2 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.39 52.36 4.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.746 2.297 . . . . 0.0 112.951 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.45 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 ' HD3' ' A' ' 27' ' ' LYS . 61.6 mt -63.34 133.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.393 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -65.14 142.2 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.58 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -55.94 -41.62 74.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.084 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -60.15 -46.0 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.4 tttt -58.83 -46.79 86.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 16' ' ' LEU . 91.1 mt -57.21 -40.03 76.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.683 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -61.82 -44.28 97.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.365 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 99.8 t -58.74 -48.11 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.2 m-70 -60.97 -39.8 90.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' HIS . 54.9 tp -60.2 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.024 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.83 -45.07 93.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.5 mm-40 -62.21 -47.17 85.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.919 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 74.5 m-20 -79.27 38.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 m120 48.61 41.14 16.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.22 44.32 29.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.453 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -115.18 123.93 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 8' ' ' LEU . 83.5 mt -75.23 -40.74 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -58.68 -43.22 89.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.511 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -74.08 -53.19 10.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 111.345 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 31' ' ' HIS . 92.8 m -55.61 -55.96 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 64.8 mt -61.63 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.48 33.35 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.574 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -69.51 -44.25 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.218 0.532 . . . . 0.0 110.087 179.252 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 42' ' ' THR . 88.4 mt -62.51 -38.22 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.514 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' HB3' ' B' ' 49' ' ' GLN . 61.6 mt -50.69 -45.45 58.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.025 0.44 . . . . 0.0 110.299 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . 52.3 mtmt -83.24 43.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.642 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 87.8 tt0 -64.85 -45.47 85.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.69 55.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.329 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' OD2' ' HA ' ' A' ' 48' ' ' LYS . 58.4 m-20 -64.77 -137.8 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.21 -42.31 90.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.39 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -57.05 144.96 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.939 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.646 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.998 0.428 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.96 148.76 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 HG21 ' B' ' 17' ' ' VAL . 46.1 pt -136.59 134.83 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.725 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.3 m-85 -79.66 142.51 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.439 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 48.8 t -137.97 77.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.936 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 60.7 tttm -75.04 124.73 27.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -75.05 149.16 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.959 HD22 HG13 ' B' ' 70' ' ' VAL . 25.2 tp -50.85 -37.72 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -67.6 -56.19 10.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.4 -41.37 0.24 Allowed Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.97 126.88 19.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.305 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 62.8 m -100.74 138.53 37.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' B' ' 15' ' ' LEU . 56.3 mt -129.15 130.15 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.646 ' C ' HD22 ' B' ' 15' ' ' LEU . 48.7 m -106.93 134.96 49.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.351 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' B' ' 14' ' ' THR . 3.2 mm? -131.06 144.68 51.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 111.033 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -91.56 128.57 37.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.529 HG21 HD13 ' B' ' 3' ' ' ILE . 29.7 m -152.48 134.31 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 111.373 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.5 tp10 -66.35 154.92 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.406 ' HA ' ' HE1' ' B' ' 1' ' ' MET . 78.8 p -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.447 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 80.3 p -90.31 35.1 0.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 32.4 t70 -78.22 -130.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.305 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.551 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.1 t -176.93 139.41 0.28 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.624 0.25 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.518 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.5 mm -53.58 -40.57 42.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' GLY . 8.1 t70 -53.54 -45.06 69.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.555 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 26.3 t-20 -60.98 -40.32 92.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.465 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.4 t -56.39 -49.81 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.663 ' HZ1' ' H ' ' B' ' 43' ' ' LEU . 66.3 mttm -61.47 -37.23 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -58.3 -50.15 74.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.2 mttm -61.23 -45.09 95.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.0 mt -58.04 -39.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.253 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.461 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 14.7 tt0 -61.99 -43.58 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.85 -43.75 97.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.7 mtpm? -69.88 -67.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.57 -42.67 74.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.25 40.7 6.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.044 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.501 HG21 ' CD1' ' B' ' 71' ' ' LEU . 74.4 mt -112.96 134.59 21.75 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.159 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 71.7 Cg_exo -51.17 139.7 42.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.427 2.084 . . . . 0.0 112.113 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 21.0 Cg_endo -60.75 -38.8 68.29 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.813 2.342 . . . . 0.0 112.696 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -57.25 -46.46 83.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.525 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -57.22 7.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.793 ' HB2' HD11 ' B' ' 69' ' ' LEU . 18.2 pt20 -62.16 142.64 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HZ1' ' B' ' 27' ' ' LYS . 54.5 ttp180 -142.91 125.69 16.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.663 ' H ' ' HZ1' ' B' ' 27' ' ' LYS . 90.8 mt -82.94 137.22 34.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 43' ' ' ILE . 87.7 mt -127.09 142.48 43.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -165.46 149.97 8.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.973 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.62 33.28 18.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.03 32.47 76.98 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.704 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -172.55 145.56 1.6 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 117.241 0.521 . . . . 0.0 111.218 179.009 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' HD13 ' A' ' 47' ' ' LEU . 19.4 pt20 -58.94 130.5 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.367 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' B' ' 45' ' ' PHE . 97.1 mt -76.37 135.28 39.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.41 134.38 48.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.17 144.08 55.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 85.71 -26.94 5.56 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.873 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.518 ' O ' HG12 ' B' ' 23' ' ' ILE . 7.6 tpt180 -65.16 132.74 49.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.694 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -69.34 149.38 48.49 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 112.143 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.426 HD23 HD12 ' B' ' 61' ' ' ILE . 41.2 mt -57.05 -43.74 82.31 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -53.33 -35.89 60.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.083 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -55.48 -52.09 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.632 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.597 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.0 m-85 -79.91 13.33 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.87 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 50.37 37.34 15.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 0.0 110.053 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.8 mt -62.81 125.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -84.71 148.59 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.442 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.716 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 86.4 tttt -50.3 141.51 11.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.716 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 56.5 mt-10 61.7 40.83 12.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -68.46 135.96 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.537 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 47.0 m -80.98 83.11 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.7 mt -84.86 131.28 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.035 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -100.54 128.06 46.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.079 0.466 . . . . 0.0 112.136 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 41' ' ' GLN . 61.4 tp -100.78 134.01 44.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.997 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.959 HG13 HD22 ' B' ' 8' ' ' LEU . 88.5 t -136.7 128.63 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.529 ' N ' HD22 ' B' ' 71' ' ' LEU . 2.8 mm? -81.96 140.22 34.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.275 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -69.74 -49.12 56.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.725 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.822 ' HG ' ' HD3' ' B' ' 74' ' ' ARG . 33.2 tp -66.12 128.9 37.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.83 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.822 ' HD3' ' HG ' ' B' ' 73' ' ' LEU . 1.0 OUTLIER 51.87 -133.78 1.73 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.917 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.47 ' H ' ' HB3' ' B' ' 74' ' ' ARG . . . -171.0 -44.62 0.03 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.561 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.456 -1.191 . . . . 0.0 112.543 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.529 0.204 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -76.9 -24.5 52.52 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.401 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.9 mp0 -51.2 -40.7 59.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG12 ' A' ' 15' ' ' ILE . 60.4 m -59.39 -46.29 89.1 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 39' ' ' LEU . 89.9 mttt -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.709 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 57.4 tp -59.7 -38.77 82.5 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.389 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -60.59 -44.77 95.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.001 HG21 HD12 ' B' ' 8' ' ' LEU . 19.4 mm -55.86 -40.95 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.237 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.1 mt -62.61 -44.27 96.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.1 mtt -54.71 -49.96 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.12 -31.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.838 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.2 tpp -62.56 -38.56 90.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.87 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 11.2 m-85 -127.52 98.46 28.74 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.35 50.25 3.3 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.607 2.205 . . . . 0.0 112.53 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -163.53 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.474 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 27' ' ' LYS . 65.2 mt -61.41 131.59 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -66.17 142.76 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.629 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -53.35 -35.25 60.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 m -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 23' ' ' ILE . 24.6 ttmm -62.87 -44.34 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.776 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 95.0 mt -57.0 -44.38 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.1 tt0 -65.54 -43.31 90.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.24 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 26' ' ' SER . 92.6 t -60.67 -56.55 17.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.776 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.7 p80 -61.4 -42.91 99.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 47.7 tp -57.07 -47.7 80.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.393 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -61.39 -48.64 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.692 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.19 -45.5 91.46 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.74 33.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 47.41 41.8 13.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.737 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 55.71 38.94 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.681 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -93.21 131.02 38.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.734 0.302 . . . . 0.0 110.831 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.712 HD13 HD11 ' B' ' 8' ' ' LEU . 87.6 mt -95.95 -43.92 7.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.86 -51.01 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.4 -54.75 11.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 111.797 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.691 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.1 m -54.39 -56.04 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.329 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.6 mt -60.48 -41.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.852 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.05 44.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.005 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD12 ' HD3' ' A' ' 48' ' ' LYS . 62.5 tp -69.87 -38.52 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 110.714 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.5 mt -61.84 -34.67 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.555 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 91.4 mt -56.76 -50.8 71.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.423 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.1 -35.21 79.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.562 -179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 57.4 mm-40 . . . . . 0 N--CA 1.463 0.183 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.339 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 4.4 pm0 -152.61 142.57 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 pt -118.06 138.94 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.418 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -78.86 145.89 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.98 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.542 HG11 HD13 ' B' ' 30' ' ' ILE . 59.4 t -126.35 84.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.681 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HB2' HG22 ' B' ' 12' ' ' THR . 61.1 tttm -77.84 133.11 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.202 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.2 p -92.2 151.75 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.001 HD12 HG21 ' A' ' 15' ' ' ILE . 19.0 tp -52.56 -36.36 55.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -70.15 -61.48 1.76 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.748 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.8 63.03 0.01 OUTLIER Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.346 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -157.08 123.59 4.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.537 HG22 ' HB2' ' B' ' 6' ' ' LYS . 80.7 p -105.38 137.11 43.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.535 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.535 HG22 ' CD2' ' B' ' 15' ' ' LEU . 70.8 mt -122.0 129.05 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.613 ' C ' HD22 ' B' ' 15' ' ' LEU . 86.8 m -88.19 123.04 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.719 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.613 HD22 ' C ' ' B' ' 14' ' ' THR . 3.0 mm? -124.17 124.54 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.583 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.6 128.03 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.757 HG11 HG22 ' B' ' 26' ' ' VAL . 35.3 m -147.63 138.86 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.12 0.486 . . . . 0.0 111.749 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -70.45 148.38 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.039 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -105.26 36.03 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -83.06 -126.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.544 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.539 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.4 t -169.49 140.55 2.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 54' ' ' ARG . 35.4 mm -56.66 -40.95 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 8.5 t70 -53.82 -42.37 68.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.539 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -58.15 -43.03 87.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.949 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.757 HG22 HG11 ' B' ' 17' ' ' VAL . 52.5 t -58.46 -45.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.747 ' HE3' HD23 ' B' ' 43' ' ' LEU . 64.0 mttp -59.16 -42.05 89.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.475 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -46.33 89.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.093 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.542 HD13 HG11 ' B' ' 5' ' ' VAL . 76.1 mt -57.53 -40.89 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 109.804 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.401 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 7.3 tt0 -62.82 -39.14 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.556 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.64 -43.8 97.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.305 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.48 ' NZ ' HD13 ' B' ' 15' ' ' LEU . 98.7 mttt -69.66 -63.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -73.25 -45.83 53.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.9 30.2 9.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.617 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.444 HG21 ' CD2' ' B' ' 71' ' ' LEU . 49.2 mm -101.06 135.0 20.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 46.7 Cg_exo -55.95 136.31 74.14 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.295 1.997 . . . . 0.0 111.864 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 19.2 Cg_endo -58.26 -42.01 60.78 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.614 2.21 . . . . 0.0 112.292 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -60.14 -43.99 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 11.3 mm100 -64.68 -52.93 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.448 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.7 pt20 -68.87 135.78 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 111.338 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 39.1 mmt180 -110.34 109.53 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 ' HE3' ' B' ' 27' ' ' LYS . 2.9 mm? -81.88 82.69 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 74.8 mt -84.31 143.84 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.652 ' HE2' HG12 ' B' ' 61' ' ' ILE . 18.9 t80 -166.5 141.65 4.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.0 33.7 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.209 0.528 . . . . 0.0 110.275 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.57 71.76 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.598 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.6 ttpm? -173.19 138.94 0.76 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.073 0.436 . . . . 0.0 111.738 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.575 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 53.8 tt0 -59.28 129.56 42.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' B' ' 45' ' ' PHE . 61.6 mt -71.05 134.18 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.612 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.1 mt-10 -66.88 135.15 53.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -66.85 138.6 57.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 73.97 45.09 27.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.974 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.612 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 45.9 mmm-85 -131.2 130.78 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 110.977 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -67.88 144.27 55.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.629 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.452 HD23 HD12 ' B' ' 61' ' ' ILE . 87.4 mt -54.99 -32.5 61.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.45 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.3 p -52.17 -43.66 64.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.99 -53.81 54.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.579 0.228 . . . . 0.0 111.547 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -77.37 -9.5 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 111.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.53 39.02 25.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.773 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.652 HG12 ' HE2' ' B' ' 45' ' ' PHE . 74.1 mt -68.04 125.78 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -76.75 -154.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -102.75 144.21 31.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.677 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.28 36.76 20.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.799 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -68.38 135.23 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.607 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.4 m -87.8 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.461 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -85.87 128.67 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.289 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 43.7 m170 -86.98 144.2 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 111.86 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.515 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.5 tt -126.98 120.77 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.746 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.951 HG13 HD22 ' B' ' 8' ' ' LEU . 95.4 t -117.02 122.13 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' B' ' 36' ' ' ILE . 93.3 mt -73.62 133.06 43.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.87 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.846 0.355 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.672 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 94.5 mt-10 -51.06 -40.56 58.6 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -59.98 -46.03 90.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.981 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.5 mttp -60.94 -38.86 87.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.637 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.36 -41.88 85.73 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.355 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -58.61 -43.72 89.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.126 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.759 HG21 HD23 ' B' ' 8' ' ' LEU . 19.4 mm -58.19 -39.23 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.011 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' HD13 ' A' ' 28' ' ' LEU . 80.1 mt -60.01 -50.59 73.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.218 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.402 ' SD ' ' HE2' ' A' ' 25' ' ' LYS . 78.5 mtm -56.36 -45.74 80.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.66 -33.37 72.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.854 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.6 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 62.2 tpp -64.21 -36.44 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.573 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.688 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.7 m-85 -128.98 108.06 18.16 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.12 54.86 5.41 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.654 2.236 . . . . 0.0 113.046 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.37 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.657 HG23 ' HD3' ' A' ' 27' ' ' LYS . 53.7 mt -61.86 133.63 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.516 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -69.72 147.25 50.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 17' ' ' MET . 40.7 ttmt -54.52 -39.74 67.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.6 p -58.65 -49.51 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.214 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.1 tttp -59.91 -47.36 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.5 mt -58.43 -41.12 84.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.511 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp60 -59.65 -44.06 93.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 97.5 t -60.0 -47.67 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -60.49 -43.99 96.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -61.98 -44.51 96.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.199 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.1 mm-40 -61.29 -49.14 78.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -83.72 27.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.045 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 64.57 -72.96 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.989 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -162.09 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -39.27 123.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.11 0.481 . . . . 0.0 111.751 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 12' ' ' LYS . 81.7 mt -85.22 -42.23 14.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.355 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 8.1 t70 -59.36 -41.64 89.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.139 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 5.6 tt -68.21 -56.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.517 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' HD23 ' A' ' 46' ' ' LEU . 92.0 m -57.1 -64.38 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.688 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.1 mt -55.56 -38.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.801 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.09 -47.96 53.64 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.674 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.5 tp -67.12 -38.32 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 42' ' ' THR . 4.2 mm? -55.72 -45.12 77.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD13 ' HB3' ' B' ' 49' ' ' GLN . 52.3 mt -54.13 -50.68 66.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.252 0.549 . . . . 0.0 109.819 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -80.83 43.0 0.66 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.699 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.884 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.504 ' HE3' ' HA ' ' B' ' 63' ' ' LYS . 26.6 ttt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.863 0.364 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.01 149.86 25.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.7 pt -136.77 133.97 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -92.34 148.09 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.384 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.917 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.2 t -131.89 78.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.108 0.48 . . . . 0.0 110.531 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.9 tttt -65.28 124.41 22.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.373 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.54 152.68 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.969 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.936 HD11 HG13 ' B' ' 70' ' ' VAL . 95.3 mt -51.3 -35.28 37.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -62.92 -59.72 4.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.575 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.02 57.53 0.01 OUTLIER Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.262 -0.97 . . . . 0.0 113.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -161.76 123.14 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 111.128 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.599 HG22 ' HB2' ' B' ' 6' ' ' LYS . 79.0 p -88.76 132.45 34.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.345 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.917 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 74.3 mt -98.41 123.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -90.48 133.97 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' B' ' 33' ' ' LYS . 81.2 mt -149.39 141.34 23.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -95.32 127.38 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.268 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.43 HG21 HD13 ' B' ' 3' ' ' ILE . 27.5 m -153.77 142.95 14.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.675 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 4.6 mm-40 -66.42 146.44 54.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.795 ' HA ' HD12 ' B' ' 56' ' ' LEU . 79.2 p -62.01 -34.43 76.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -95.87 29.95 2.54 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -84.29 -123.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.63 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.0 t -171.72 141.35 1.42 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.0 111.036 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.664 HD12 HD13 ' B' ' 50' ' ' LEU . 50.8 mm -53.84 -40.66 45.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.28 -46.07 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.63 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -60.78 -41.83 96.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 30' ' ' ILE . 86.1 t -58.03 -49.74 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HE3' HD13 ' B' ' 43' ' ' LEU . 61.4 mttp -59.22 -39.67 83.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.567 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -59.5 -44.9 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.361 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.35 -40.83 96.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.43 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 26' ' ' VAL . 91.5 mt -62.46 -38.99 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.659 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.401 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 7.6 tt0 -65.42 -46.27 80.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.518 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.89 -45.92 73.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.864 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.526 ' HD3' HD21 ' B' ' 15' ' ' LEU . 65.1 tttp -67.88 -61.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.21 -37.54 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.791 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.84 47.84 5.16 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.66 133.72 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.498 0.19 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.2 Cg_endo -55.86 137.21 78.04 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.549 2.166 . . . . 0.0 112.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.4 Cg_endo -59.76 -33.3 96.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.735 2.29 . . . . 0.0 112.394 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -57.25 -46.15 83.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -70.62 -56.89 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.422 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.1 pt20 -67.14 141.58 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.243 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -138.76 120.78 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 8.5 mp -82.28 137.62 34.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.449 HD13 HD21 ' A' ' 47' ' ' LEU . 79.4 mt -130.27 142.61 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.143 0.496 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.9 t80 -161.48 140.06 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.569 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 32.91 22.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.91 26.67 74.49 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.66 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD22 ' A' ' 47' ' ' LEU . 32.5 mtmm -157.34 141.22 16.01 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.006 0.403 . . . . 0.0 111.576 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.582 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.2 pm0 -61.18 136.34 58.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.664 HD13 HD12 ' B' ' 23' ' ' ILE . 88.9 mt -64.22 129.76 41.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.8 mt-10 -74.28 132.32 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.85 137.67 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.45 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 72.41 46.89 31.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.564 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.571 ' O ' HG12 ' B' ' 23' ' ' ILE . 50.8 mmt-85 -138.49 133.54 32.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -63.31 148.72 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.4 mt -54.53 -37.05 64.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.2 t -54.81 -26.91 38.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.585 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.32 -57.26 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.419 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.416 ' OH ' ' HG3' ' B' ' 51' ' ' GLU . 13.2 m-85 -85.74 31.91 0.6 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.44 35.82 11.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.422 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.556 HG23 ' OG ' ' B' ' 65' ' ' SER . 72.1 mt -72.55 121.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -89.64 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' B' ' 1' ' ' MET . 24.1 pttm -179.93 140.74 0.14 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 61.02 41.27 14.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.556 ' OG ' HG23 ' B' ' 61' ' ' ILE . 60.0 m -74.25 139.37 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 71.3 m -85.72 88.9 7.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.204 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 75.6 mt -86.09 134.5 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.6 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 13.7 m-70 -94.72 133.01 38.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.702 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.5 tt -107.79 135.23 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.606 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.936 HG13 HD11 ' B' ' 8' ' ' LEU . 99.2 t -135.11 125.8 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.07 141.85 35.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HA ' ' OD2' ' A' ' 40' ' ' ASP . 71.4 ttt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.369 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -73.38 -23.64 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 68.8 mm-40 -49.9 -39.09 38.62 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.503 ' OG ' ' HD2' ' A' ' 12' ' ' LYS . 91.8 p -61.11 -49.7 76.22 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.825 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.6 -37.55 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.561 178.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.598 ' HA ' HD12 ' A' ' 16' ' ' LEU . 54.4 tp -61.35 -40.22 93.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.969 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -59.84 -49.66 76.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.593 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.843 HG21 HD12 ' B' ' 8' ' ' LEU . 1.8 mp -58.81 -37.93 69.42 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 13' ' ' LEU . 86.7 mt -60.66 -44.7 96.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.787 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.5 mtp -57.98 -50.8 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.65 -29.34 65.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.533 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 63.5 tpp -63.97 -41.12 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.032 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 13.1 m-85 -123.1 97.48 43.31 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.54 51.11 3.18 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.055 2.503 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.74 -39.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.458 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 27' ' ' LYS . 70.0 mt -62.01 132.31 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -64.2 140.77 58.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.513 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -50.85 -37.16 41.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -59.19 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.0 tttp -58.95 -43.31 91.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.999 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.787 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -57.79 -47.3 82.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.3 tt0 -64.02 -40.13 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.669 0.271 . . . . 0.0 111.197 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 26' ' ' SER . 85.7 t -61.77 -57.98 9.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.787 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 7.1 p80 -60.15 -41.84 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.109 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 40.8 tp -58.0 -47.05 84.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.29 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.1 mt -61.84 -46.22 90.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.451 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 4.8 mm-40 -65.31 -43.75 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.286 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.548 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.8 m120 -81.23 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 44.79 36.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 74.5 m-20 54.54 45.01 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.01 129.79 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.872 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 12' ' ' LYS . 75.7 mt -83.67 -54.0 5.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.886 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 62.8 t0 -57.5 -47.47 81.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -65.11 -64.05 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.073 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.5 m -52.14 -63.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.402 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.64 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 69.9 mt -52.18 -36.72 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.98 59.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.086 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 41' ' ' LEU . 10.0 mp -66.9 -40.23 87.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.607 0.241 . . . . 0.0 110.538 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 46' ' ' LEU . 4.0 mm? -55.54 -42.62 74.86 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' B' ' 48' ' ' LYS . 34.5 mt -55.37 -39.0 69.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.017 0.437 . . . . 0.0 110.19 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.93 39.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.297 179.836 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.919 0.39 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HB2' ' OE2' ' B' ' 64' ' ' GLU . 13.4 mp0 -69.04 148.89 49.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.797 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.536 HD13 HG21 ' B' ' 17' ' ' VAL . 35.3 pt -135.45 132.18 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.256 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.6 m-85 -79.09 143.22 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.4 t -130.77 78.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.588 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 55.2 tttm -75.5 127.7 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' LYS . 81.7 p -86.89 144.82 26.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.046 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.927 HD13 HG12 ' B' ' 70' ' ' VAL . 29.1 tp -52.84 -36.92 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -66.46 -60.49 2.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.68 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.64 63.07 0.01 OUTLIER Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.429 ' O ' HG23 ' B' ' 7' ' ' THR . 87.2 tttt -164.68 116.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.96 0.38 . . . . 0.0 111.125 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.0 m -99.51 139.72 34.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.45 HG21 ' HG2' ' B' ' 33' ' ' LYS . 54.1 mt -133.61 126.67 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.624 ' O ' HD13 ' B' ' 15' ' ' LEU . 89.2 m -99.16 130.12 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.679 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' B' ' 14' ' ' THR . 2.4 mm? -133.83 139.71 46.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.505 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 87.8 tt0 -76.97 134.36 38.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.536 HG21 HD13 ' B' ' 3' ' ' ILE . 30.4 m -147.79 137.76 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.901 0.381 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.523 ' HG2' ' H ' ' B' ' 20' ' ' SER . 43.7 tt0 -66.69 146.7 54.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.745 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -55.02 -40.49 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.932 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 78.1 p -92.39 36.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.386 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.607 ' O ' HG22 ' B' ' 55' ' ' THR . 57.1 p-10 -80.52 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.765 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.716 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.3 t -175.94 143.7 0.58 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 50' ' ' LEU . 50.7 mm -50.63 -42.94 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.28 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.35 -42.99 78.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.716 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -59.36 -44.72 92.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 30' ' ' ILE . 51.4 t -56.57 -39.84 65.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.854 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.617 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 34.8 mmtp -59.55 -47.35 85.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.972 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t -55.82 -44.33 77.79 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HB3' ' B' ' 15' ' ' LEU . 28.3 mtpp -60.24 -43.93 95.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.8 mt -58.45 -40.46 78.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.34 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 9.2 mm100 -60.41 -49.55 77.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.36 0.6 . . . . 0.0 109.934 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.98 -29.91 67.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.183 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HG2' HG21 ' B' ' 13' ' ' ILE . 26.4 tptp -79.01 -40.1 32.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.542 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.4 -32.19 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.52 51.06 5.38 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 41' ' ' GLN . 66.2 mt -88.28 134.18 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.485 0.183 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 56.4 Cg_exo -51.44 138.89 47.05 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.316 2.011 . . . . 0.0 111.799 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.1 -47.52 19.86 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.473 2.116 . . . . 0.0 112.597 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.18 -40.45 94.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.4 tp60 -58.64 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.359 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.884 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.6 pt20 -74.74 146.28 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.445 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.627 ' HB3' HG23 ' B' ' 70' ' ' VAL . 14.2 tpp85 -144.98 119.96 10.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 50.4 mt -85.78 119.23 25.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 112.294 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 47' ' ' LEU . 89.5 mt -115.42 143.38 25.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.485 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.633 ' HB3' HD21 ' B' ' 50' ' ' LEU . 30.7 t80 -165.45 145.77 6.91 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.43 -34.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 165.18 -15.05 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.793 ' HA ' HD22 ' A' ' 47' ' ' LEU . 63.1 pttt -159.28 170.71 21.28 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.066 0.46 . . . . 0.0 112.002 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 6.9 tt0 -52.25 135.8 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.181 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' B' ' 45' ' ' PHE . 75.2 mt -82.87 35.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.322 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 23' ' ' ILE . 55.6 mt-10 51.16 -167.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 111.31 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.28 42.35 2.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.233 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.31 54.14 0.05 OUTLIER Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.423 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.461 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.6 mmm180 -148.05 135.14 20.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.14 0.495 . . . . 0.0 111.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.607 HG22 ' O ' ' B' ' 21' ' ' ASP . 40.9 p -65.46 141.86 58.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.605 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.498 ' CD2' HD12 ' B' ' 61' ' ' ILE . 71.7 mt -49.72 -24.51 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -56.87 -46.73 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 55' ' ' THR . 2.9 p-10 -59.62 -50.57 73.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.288 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.39 -16.93 63.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.637 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.93 40.58 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.317 0.579 . . . . 0.0 109.766 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.503 HD11 HD13 ' B' ' 50' ' ' LEU . 70.3 mt -67.49 125.24 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.466 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -75.97 155.71 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.777 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -62.53 147.17 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.742 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' B' ' 2' ' ' GLN . 43.3 mm-40 62.57 35.1 14.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.984 0.421 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -77.81 139.74 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.257 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 87.1 m -91.25 96.83 10.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.613 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -87.5 134.31 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.533 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 44.7 m170 -90.64 140.17 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 41' ' ' GLN . 47.4 tp -121.44 83.29 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.927 HG12 HD13 ' B' ' 8' ' ' LEU . 19.3 m -71.47 133.66 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.51 134.56 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 50.5 ttt-85 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -67.67 -24.61 65.44 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 11.4 pt-20 -51.45 -35.6 40.32 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.793 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 14' ' ' SER . 39.1 t -59.73 -44.6 93.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.775 ' HB3' HD21 ' A' ' 39' ' ' LEU . 41.8 mmtm -62.01 -43.58 98.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.82 -37.66 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.412 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -61.65 -43.89 98.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.451 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.604 HG21 ' CD2' ' B' ' 8' ' ' LEU . 22.2 mm -56.33 -44.5 79.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.623 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.78 ' HB3' HD22 ' A' ' 28' ' ' LEU . 95.3 mt -59.18 -45.44 91.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.352 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.1 mtp -56.17 -52.84 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.507 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 61.4 t0 -73.26 -30.22 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 54.6 tpp -59.88 -37.45 79.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -128.82 106.58 18.45 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.91 51.62 3.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.937 2.425 . . . . 0.0 112.69 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.93 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.7 mt -66.3 132.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.144 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -57.71 138.83 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.228 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.38 -30.57 60.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.4 t -54.15 -48.04 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.442 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.62 -51.03 64.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.688 0.28 . . . . 0.0 111.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 16' ' ' LEU . 87.6 mt -49.54 -42.14 43.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.101 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.44 -44.01 72.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 26' ' ' SER . 75.2 t -62.88 -53.64 44.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.475 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' HB3' HG23 ' A' ' 42' ' ' THR . 86.7 m-70 -58.5 -43.68 89.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.45 -50.63 73.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.268 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.82 -45.59 93.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 67.0 mm-40 -63.17 -48.78 76.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.64 37.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.34 48.65 18.8 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 111.115 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 42.06 41.3 1.94 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.038 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -95.18 128.26 41.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.54 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 12' ' ' LYS . 85.2 mt -77.89 -49.63 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.507 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.16 -44.38 92.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.73 -59.41 3.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.646 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.4 m -56.39 -63.34 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.329 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.0 mt -56.0 -38.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.31 -47.55 61.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.051 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.3 tm? -69.45 -38.95 78.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 42' ' ' THR . 4.3 mm? -55.3 -45.51 76.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.86 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD12 ' NH2' ' B' ' 42' ' ' ARG . 74.4 mt -56.6 -35.39 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.095 0.474 . . . . 0.0 110.295 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.08 -31.96 72.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.812 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 . . . . . 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.72 -179.132 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.922 0.391 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.686 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -71.94 146.54 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.057 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.482 HD13 HG21 ' B' ' 17' ' ' VAL . 38.1 pt -130.74 136.6 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.9 m-85 -88.04 146.8 25.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.468 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 57.9 t -146.41 77.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.289 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.0 tttt -71.73 135.31 46.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -82.11 142.05 32.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.545 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG13 ' B' ' 70' ' ' VAL . 78.5 mt -42.6 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.783 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p 48.37 66.35 1.09 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.971 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.46 -67.9 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.611 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' B' ' 11' ' ' LYS . 5.3 tmtm? -172.88 139.28 0.85 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.201 0.501 . . . . 0.0 111.542 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.93 HG22 ' HB2' ' B' ' 6' ' ' LYS . 67.2 p -81.44 124.21 29.24 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.127 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' B' ' 15' ' ' LEU . 35.5 mm -94.18 136.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.329 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.571 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -115.65 128.43 55.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.768 0.318 . . . . 0.0 111.847 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.571 HD22 ' C ' ' B' ' 14' ' ' THR . 2.9 mm? -130.81 140.87 50.31 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.07 123.46 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG22 ' B' ' 26' ' ' VAL . 22.0 m -150.37 134.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.136 0.493 . . . . 0.0 111.563 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.84 152.2 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -77.35 43.54 0.39 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.042 0.449 . . . . 0.0 110.44 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -168.58 49.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.499 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.595 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 8.1 t70 -139.66 141.97 37.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.871 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.474 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.0 t -69.39 145.94 52.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.67 -41.91 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.55 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -51.17 -44.07 61.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.595 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 50.1 t30 -55.58 -44.75 77.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.02 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.711 HG22 HG11 ' B' ' 17' ' ' VAL . 60.5 t -60.97 -40.09 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.363 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.555 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -58.46 -42.27 87.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.511 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -64.42 -45.23 88.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.932 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.559 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.4 mttm -59.44 -47.36 85.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.453 HD12 HD21 ' B' ' 43' ' ' LEU . 73.5 mt -63.59 -39.71 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.21 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.07 -40.95 78.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.406 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.37 -68.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.955 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.55 -39.38 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.858 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.55 13.6 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.12 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -94.97 133.74 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.417 0.151 . . . . 0.0 110.78 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.97 137.12 68.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.063 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.63 -42.3 66.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.651 2.234 . . . . 0.0 112.549 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.62 -42.87 81.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.594 HE21 HD23 ' B' ' 71' ' ' LEU . 40.8 tt0 -63.74 -48.89 75.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.682 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.613 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -64.2 136.39 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 111.274 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.688 ' NH2' HD12 ' A' ' 47' ' ' LEU . 72.0 mtp180 -134.86 81.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 5.8 mp -69.55 86.6 0.46 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.368 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 47' ' ' LEU . 68.2 mt -82.13 141.25 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.177 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.63 ' HE2' HG12 ' B' ' 61' ' ' ILE . 22.6 t80 -161.75 140.32 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.594 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.41 31.74 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.214 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 16.45 76.71 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 113.894 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.536 ' HA ' HD22 ' A' ' 47' ' ' LEU . 36.9 ttpt -173.27 144.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.564 0.682 . . . . 0.0 112.238 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 64.4 mt-30 -54.97 133.11 48.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.537 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 45' ' ' PHE . 77.4 mt -68.39 130.1 41.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 50.9 mt-10 -60.73 137.9 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.409 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 15.4 m-20 -79.94 50.35 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 23' ' ' ILE . 73.0 mtt-85 -152.4 134.68 15.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -67.6 148.67 51.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.081 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.477 HD23 HD12 ' B' ' 61' ' ' ILE . 86.6 mt -50.7 -33.26 22.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.999 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -56.69 -39.28 73.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.543 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 33.5 t70 -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.335 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.544 ' HB2' HG13 ' B' ' 61' ' ' ILE . 23.6 m-85 -75.99 -10.4 59.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.709 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 60.47 40.94 16.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.63 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.4 mt -64.07 125.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.397 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.3 146.47 30.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -51.44 141.27 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' B' ' 2' ' ' GLN . 56.0 mt-10 61.96 40.01 12.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.03 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.48 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 91.5 m -84.83 86.14 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 7.3 mp -85.9 139.51 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.538 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.507 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 40.9 m170 -95.49 141.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 41' ' ' GLN . 65.5 tp -121.34 119.83 33.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.487 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.733 HG13 HD11 ' B' ' 8' ' ' LEU . 84.8 t -113.78 125.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.594 HD23 HE21 ' B' ' 40' ' ' GLN . 5.5 mp -98.45 130.22 45.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.638 0.256 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -61.45 -25.48 67.26 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 50.4 mt-10 -52.04 -37.25 52.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.317 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -58.52 -51.46 69.79 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.957 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.2 mttp -59.62 -37.62 79.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.318 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 17' ' ' MET . 60.0 tp -60.65 -39.89 89.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.836 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -61.17 -45.3 95.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.795 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.79 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.85 -42.76 82.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.588 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.691 ' HB3' HD13 ' A' ' 28' ' ' LEU . 82.1 mt -62.27 -45.29 93.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.587 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 63.3 mtm -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 0.0 111.223 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.1 -40.51 86.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.652 ' HE1' HD13 ' A' ' 43' ' ' ILE . 54.5 ttm -63.55 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.001 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 30.3 m-85 -124.48 71.36 57.13 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.068 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.23 -40.7 69.05 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.386 2.057 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.31 84.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.516 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.3 mt -70.94 133.34 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 111.4 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -66.55 140.42 57.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -58.48 -29.96 66.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.347 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 48.4 t -55.18 -48.61 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -62.86 -49.47 74.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 16' ' ' LEU . 86.5 mt -57.27 -38.17 73.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.819 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.94 -43.03 94.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.397 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' SER . 90.8 t -58.1 -47.68 86.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -62.68 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 34.7 tp -62.49 -45.34 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.24 -48.24 79.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -60.84 -49.53 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -83.95 28.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' N ' HD22 ' A' ' 36' ' ' ASN . 2.7 m120 65.41 -71.0 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' LYS . 16.3 p-10 -177.09 32.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.184 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.77 134.15 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.96 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 12' ' ' LYS . 89.8 mt -100.46 -49.25 4.29 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -56.08 -50.08 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.6 tt -63.69 -57.06 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.623 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -54.41 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.652 HD13 ' HE1' ' A' ' 19' ' ' MET . 71.1 mt -53.81 -38.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.87 -46.59 60.36 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.488 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 tp -70.41 -37.32 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.8 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 42' ' ' THR . 4.6 mm? -59.03 -43.81 91.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.297 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.5 mt -52.86 -49.52 65.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -81.47 40.78 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.576 ' HA ' ' NZ ' ' B' ' 63' ' ' LYS . 27.4 ttt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 3.6 pm0 -151.14 151.51 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.741 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.77 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -124.97 133.98 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.414 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 3.0 m-85 -78.33 99.92 6.54 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.528 ' CG2' HD23 ' B' ' 15' ' ' LEU . 52.5 t -78.01 82.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.752 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.645 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 62.8 tttp -80.04 132.71 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.754 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -96.88 147.54 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.928 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 15' ' ' ILE . 60.5 mt -49.02 -32.65 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.707 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.5 m -62.93 -53.96 45.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.33 -38.37 0.41 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.07 135.52 31.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.946 0.403 . . . . 0.0 112.013 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 59.7 p -118.81 87.42 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.636 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.04 116.88 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.187 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.444 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -84.14 128.53 34.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' B' ' 5' ' ' VAL . 4.5 mm? -117.98 142.47 47.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.234 0.54 . . . . 0.0 111.055 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 41.6 tt0 -84.75 124.56 31.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.795 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 1.029 HG21 HG22 ' B' ' 26' ' ' VAL . 2.9 p -164.1 132.8 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.412 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.475 ' O ' HD12 ' B' ' 56' ' ' LEU . 30.3 mt-10 -87.0 147.64 25.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.899 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.625 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 41.3 t -76.62 30.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 18' ' ' GLU . 79.8 p -124.98 -29.21 3.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -61.2 -113.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.695 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.0 t -170.12 146.32 2.98 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.272 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.44 -40.12 23.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -55.51 -42.24 74.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.695 ' H ' HG23 ' B' ' 22' ' ' THR . 20.0 t-20 -62.11 -41.41 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.588 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 1.029 HG22 HG21 ' B' ' 17' ' ' VAL . 39.5 t -56.7 -49.16 79.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.004 0.431 . . . . 0.0 110.225 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 98.9 mttt -62.43 -38.56 90.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -57.82 -42.67 84.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.816 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.3 mtpm? -62.58 -41.96 99.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.594 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -58.41 -36.12 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.085 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 2.6 mm100 -64.81 -50.18 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.451 0.644 . . . . 0.0 110.525 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -56.21 -42.86 77.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.785 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.72 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.66 -41.98 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.09 44.47 44.87 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.29 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.77 134.11 21.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.336 0.112 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 87.9 Cg_exo -47.23 133.87 19.39 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.446 2.097 . . . . 0.0 112.105 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -56.83 -45.84 33.67 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 0.0 112.683 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.8 -43.41 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 53.6 tt0 -67.07 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.404 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.45 138.46 58.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.05 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -146.13 106.95 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.1 mm? -75.66 116.23 16.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 96.9 mt -103.93 142.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.105 0.479 . . . . 0.0 111.726 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.731 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.4 t80 -160.34 144.49 14.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.814 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.71 35.2 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 110.541 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.08 28.51 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.809 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.598 ' HA ' HD22 ' A' ' 47' ' ' LEU . 28.7 ttpp -173.02 138.69 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.25 0.525 . . . . 0.0 111.889 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.5 tt0 -58.22 127.33 31.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.725 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' B' ' 45' ' ' PHE . 45.1 mt -72.39 126.3 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.16 126.39 29.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.55 132.51 47.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.8 -35.02 3.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.471 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -67.21 -140.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -150.24 147.02 27.18 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' B' ' 61' ' ' ILE . 83.6 mt -52.98 -44.34 67.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -60.87 -36.53 79.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -53.91 -53.9 46.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.612 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.528 ' CD2' HD22 ' B' ' 50' ' ' LEU . 6.2 m-85 -80.84 23.56 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 48.48 35.42 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.214 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.1 mt -68.7 124.43 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.964 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' B' ' 65' ' ' SER . 19.2 pt20 -87.87 147.99 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 59.6 tttp -53.76 142.03 24.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.733 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.6 mt-10 61.33 37.64 16.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 86.6 p -72.72 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.656 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.545 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.7 m -161.46 126.64 3.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.047 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' B' ' 66' ' ' THR . 5.3 mp -122.86 134.91 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.645 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 47.7 m170 -89.14 104.1 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 111.465 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 41' ' ' GLN . 4.9 tt -75.98 79.91 2.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.747 HG22 HD21 ' B' ' 8' ' ' LEU . 85.8 t -78.33 133.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.52 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.4 mp -90.48 138.44 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.87 0.366 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.491 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.12 -23.52 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.6 pm0 -50.36 -37.21 35.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.638 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 44.0 t -61.68 -47.11 86.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.763 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -58.12 -37.18 74.1 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.092 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 52.2 tp -62.06 -38.86 90.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.632 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -59.69 -49.05 79.26 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.7 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.72 -37.78 61.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.729 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.8 mt -60.93 -45.6 94.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.7 mtt -57.3 -50.4 73.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.23 -31.9 68.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE3' HD13 ' A' ' 43' ' ' ILE . 59.3 tpp -63.07 -38.35 90.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.884 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 8.5 m-85 -126.09 103.43 26.71 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.36 49.87 3.35 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.767 2.312 . . . . 0.0 112.847 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.36 -44.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.592 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD13 HD12 ' A' ' 46' ' ' LEU . 68.0 mt -59.41 133.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.313 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p -62.84 141.76 58.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.249 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -58.82 -47.43 84.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.3 tttp -58.8 -46.99 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -58.61 -41.07 85.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.89 -42.14 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 96.9 t -60.59 -50.39 80.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HB3' HG23 ' A' ' 42' ' ' THR . 90.4 m-70 -59.6 -43.16 93.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 9' ' ' HIS . 55.3 tp -59.27 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.481 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.08 -46.39 89.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 57.2 mm-40 -65.38 -46.8 78.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -78.78 44.21 0.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 46.72 32.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 32' ' ' LEU . 75.8 m-20 55.81 48.19 18.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 41' ' ' LEU . 55.4 p30 -113.47 137.78 51.05 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.725 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 12' ' ' LYS . 94.6 mt -83.62 -47.84 10.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -54.88 -50.23 69.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 59.2 tp -68.41 -54.54 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 111.682 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -55.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 63.2 mt -53.29 -40.76 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.73 -45.88 60.14 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.691 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -68.87 -39.11 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.135 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.03 -35.92 67.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.959 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 ' N ' ' B' ' 49' ' ' GLN . 77.2 mt -47.23 -50.07 21.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.64 -26.87 66.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.424 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.375 -179.637 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.444 ' HG3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.943 0.401 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 70.8 mt-30 -62.34 153.86 29.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.597 HD13 HG21 ' B' ' 17' ' ' VAL . 44.0 pt -142.86 138.52 27.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.79 141.13 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.364 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -124.62 79.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.686 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.3 tttt -76.92 129.45 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.417 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -77.02 -148.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.525 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.952 HD11 HG13 ' B' ' 70' ' ' VAL . 88.8 mt -108.38 48.5 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.628 0.251 . . . . 0.0 110.848 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -160.6 -52.27 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.436 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' B' ' 12' ' ' THR . . . 171.65 -38.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.575 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.4 139.35 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.766 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' HB2' ' B' ' 6' ' ' LYS . 81.8 p -135.55 125.45 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.567 HG21 ' HE3' ' B' ' 33' ' ' LYS . 67.4 mt -106.45 123.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.478 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.0 m -90.12 142.72 27.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' B' ' 33' ' ' LYS . 8.1 mt -151.37 133.58 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 23.2 pt-20 -77.29 132.06 38.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 3' ' ' ILE . 29.1 m -147.9 133.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.058 0.456 . . . . 0.0 111.454 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 85.3 tt0 -67.34 139.81 57.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.006 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -63.56 -39.37 94.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.515 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 62.9 m -91.02 25.0 2.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 8.7 t0 -84.43 -124.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.244 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.541 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.4 t -167.56 144.22 4.28 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.421 ' CG2' ' HA ' ' B' ' 52' ' ' ASP . 38.9 mm -54.0 -47.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.052 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' HA2' ' B' ' 53' ' ' GLY . 2.7 p30 -53.69 -42.44 67.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.488 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.541 ' H ' HG23 ' B' ' 22' ' ' THR . 46.1 t30 -59.81 -45.2 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.42 -49.28 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.603 ' HE2' HD13 ' B' ' 43' ' ' LEU . 98.0 mttt -60.89 -37.24 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -62.14 -44.9 95.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -59.68 -46.92 87.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.354 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.599 ' HA ' ' NZ ' ' B' ' 33' ' ' LYS . 68.3 mt -63.37 -36.48 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.404 ' OE1' ' HG3' ' B' ' 38' ' ' PRO . 40.1 tt0 -59.96 -47.01 87.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.97 -42.12 77.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.408 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' HA ' ' B' ' 30' ' ' ILE . 6.0 ttpm? -65.84 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.911 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.83 -40.75 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.847 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 31.28 30.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.054 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -96.2 131.85 27.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.364 0.126 . . . . 0.0 110.802 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.9 Cg_endo -56.08 135.28 69.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.399 2.066 . . . . 0.0 111.927 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.8 Cg_exo -51.51 -37.88 63.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.794 2.329 . . . . 0.0 112.93 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.81 -48.43 81.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.532 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 72.4 mt-30 -69.12 -53.84 18.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.541 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.8 pt20 -63.56 143.39 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.664 HH21 HG11 ' B' ' 70' ' ' VAL . 56.6 ttp180 -150.3 125.45 10.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' B' ' 27' ' ' LYS . 6.3 mp -93.28 132.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.612 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.541 ' CD1' HD21 ' A' ' 47' ' ' LEU . 97.1 mt -131.05 140.05 49.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.806 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.854 ' HB3' HD21 ' B' ' 50' ' ' LEU . 33.9 t80 -159.89 152.86 21.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.763 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.97 31.51 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 110.3 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.16 34.61 81.41 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.634 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -172.36 143.29 1.41 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.144 0.472 . . . . 0.0 111.728 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.619 ' N ' HD22 ' A' ' 47' ' ' LEU . 37.7 tt0 -57.66 132.8 54.34 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.711 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.854 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.9 mt -83.92 127.17 33.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.67 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.432 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.421 ' HA ' ' CG2' ' B' ' 23' ' ' ILE . 2.7 p30 -71.35 147.76 47.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.795 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.535 ' HA2' ' OD2' ' B' ' 24' ' ' ASP . . . 96.97 -29.16 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 12.2 mmp_? -64.67 -145.08 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 111.198 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.1 p -150.49 146.1 26.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.227 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 61' ' ' ILE . 93.2 mt -53.36 -44.05 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.75 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -58.59 -36.21 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.342 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' B' ' 50' ' ' LEU . 2.5 m-85 -81.54 23.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 47.0 33.89 2.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 56' ' ' LEU . 75.1 mt -72.53 126.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.285 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.565 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.3 pm0 -85.35 -157.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.902 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 62.8 pttt -92.26 147.28 23.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.778 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 58.44 39.93 24.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.8 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.2 m -92.01 84.69 5.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.777 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.9 mp -86.28 140.71 29.84 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.759 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.686 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 51.3 m170 -100.73 127.74 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' B' ' 41' ' ' GLN . 55.6 tp -97.5 80.28 2.83 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.296 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.952 HG13 HD11 ' B' ' 8' ' ' LEU . 89.3 t -71.55 133.33 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.954 0.407 . . . . 0.0 111.501 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -98.75 138.1 36.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.602 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.3 tpt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.888 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.888 0.375 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -24.54 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.624 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 54.6 mt-10 -51.51 -43.43 62.26 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.2 p -58.56 -46.82 86.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.465 0.65 . . . . 0.0 109.468 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 39' ' ' LEU . 30.6 mmtp -61.51 -37.95 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.21 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 16' ' ' LEU . 65.9 tp -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.641 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -60.83 -46.67 89.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.564 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 8' ' ' LEU . 7.9 mm -57.77 -40.15 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 32' ' ' LEU . 90.5 mt -61.12 -42.3 98.29 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 83.2 mtp -60.15 -49.6 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.8 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.558 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 60.2 t0 -73.78 -32.36 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.501 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 56.7 tpp -66.16 -38.3 87.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.724 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 9.5 m-85 -129.52 67.99 79.74 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 10.4 Cg_endo -53.43 -38.48 82.95 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.474 2.116 . . . . 0.0 111.691 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.1 99.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.199 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' LYS . 63.0 mt -68.29 135.72 27.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.309 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -62.11 143.06 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.849 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.71 -40.93 76.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 30' ' ' VAL . 60.4 m -54.8 -48.66 72.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.8 tttt -59.38 -38.1 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.701 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 87.0 mt -62.88 -43.47 98.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.503 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.553 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -65.39 -42.56 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 0.0 111.009 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 26' ' ' SER . 66.1 t -59.92 -59.22 4.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.728 ' ND1' HG21 ' A' ' 42' ' ' THR . 3.9 p80 -58.77 -41.68 87.19 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 16' ' ' LEU . 56.1 tp -55.91 -43.43 77.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.3 mt -61.68 -41.61 97.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.324 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 46.9 mt-10 -56.56 -54.87 40.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.071 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -83.94 36.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 64.22 -74.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 p30 179.32 28.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.072 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.83 125.91 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.655 ' HB2' HD21 ' B' ' 8' ' ' LEU . 95.7 mt -79.17 -43.79 23.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.02 -49.38 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.65 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.15 -64.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' ND1' ' A' ' 31' ' ' HIS . 28.7 m -53.26 -58.56 6.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.074 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.549 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 58.6 mt -57.34 -42.9 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.087 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.77 -45.72 54.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.788 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -74.47 -32.63 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.235 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 42' ' ' THR . 0.7 OUTLIER -56.23 -44.47 79.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.478 -179.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 49' ' ' GLN . 63.7 mt -48.74 -51.19 30.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -76.03 -31.33 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 -179.613 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.526 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 2.4 pt20 -67.65 143.16 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.452 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.423 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.9 pt -138.86 138.12 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -80.1 138.35 36.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.988 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.536 HG21 HD12 ' B' ' 15' ' ' LEU . 43.4 t -132.68 77.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.056 0.455 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.6 ttpt -80.48 133.68 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -70.23 -150.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -105.78 41.86 1.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.338 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -150.15 -53.37 0.15 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.78 -40.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.716 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.2 tttp -52.66 131.35 34.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.635 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.9 m -121.12 136.05 55.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -117.13 121.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.451 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 87.8 m -88.29 142.94 27.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD12 HG21 ' B' ' 5' ' ' VAL . 7.9 mt -147.92 136.23 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 111.102 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.17 130.24 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.758 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -151.6 142.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 0.3 OUTLIER -66.32 147.04 53.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.37 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -63.44 -45.67 89.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -87.05 25.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.591 ' O ' HG22 ' B' ' 55' ' ' THR . 39.1 t70 -77.13 -126.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.6 t -174.73 140.48 0.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.678 0.275 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.559 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -52.24 -38.7 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 65.1 t0 -56.04 -47.81 77.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.463 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.665 ' H ' HG23 ' B' ' 22' ' ' THR . 49.9 t30 -62.97 -40.47 97.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.439 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 30' ' ' ILE . 50.5 t -57.14 -48.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.597 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.61 -37.51 86.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -58.65 -44.82 90.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.413 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.624 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 97.6 mttt -64.4 -44.1 92.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.7 mt -60.97 -37.98 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.597 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.477 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 41.4 tt0 -64.53 -46.83 81.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.251 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.34 -43.48 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.602 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -70.86 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.83 -42.47 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.79 45.62 5.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.922 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 71' ' ' LEU . 68.8 mt -124.53 133.95 25.17 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.456 0.169 . . . . 0.0 110.79 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 50.6 Cg_exo -54.31 134.61 61.79 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.438 2.092 . . . . 0.0 112.343 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 37.2 Cg_endo -65.41 -40.54 18.36 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.659 2.24 . . . . 0.0 112.528 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -57.34 -39.58 76.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 8.2 tt0 -74.39 -52.96 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.387 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' B' ' 71' ' ' LEU . 3.1 pt20 -69.67 132.52 46.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.949 0.404 . . . . 0.0 111.427 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' B' ' 42' ' ' ARG . 8.3 mmp_? -111.52 112.71 24.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.926 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 67' ' ' LEU . 52.3 tp -83.84 82.6 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.417 HG12 HD21 ' A' ' 47' ' ' LEU . 83.1 mt -82.09 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 112.029 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.7 t80 -161.93 138.21 7.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.35 34.9 23.02 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 58.64 32.14 68.72 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.962 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' B' ' 48' ' ' LYS . 26.5 mmmt -154.5 138.07 16.0 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.676 0.274 . . . . 0.0 110.857 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -69.13 124.52 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.258 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -69.23 125.21 25.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.599 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -82.07 140.36 33.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.437 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 1.5 m-20 -66.62 141.76 57.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 101.46 -37.25 3.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.954 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.559 ' O ' HG12 ' B' ' 23' ' ' ILE . 47.8 mmt-85 -70.21 130.13 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 111.535 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.591 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.3 p -71.26 154.84 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.725 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 61' ' ' ILE . 88.9 mt -52.1 -38.67 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -54.88 -36.8 65.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.837 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -54.57 -56.01 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.538 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' B' ' 61' ' ' ILE . 30.5 m-85 -79.9 16.92 1.04 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.695 0.283 . . . . 0.0 110.935 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.7 t30 48.89 36.51 8.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.524 HG12 ' CE2' ' B' ' 45' ' ' PHE . 62.0 mt -71.09 123.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -80.95 -141.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -111.37 143.74 41.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.631 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.526 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 49.7 mt-10 59.23 33.43 22.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.699 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -73.15 139.78 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.609 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 82.7 m -80.21 128.3 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' B' ' 43' ' ' LEU . 98.9 mt -120.59 128.71 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.158 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.579 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 45.2 m170 -93.02 135.6 34.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 111.949 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.3 tt -115.32 131.37 56.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.683 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.879 HG13 HD22 ' B' ' 8' ' ' LEU . 58.5 t -137.99 118.86 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 41' ' ' GLN . 94.3 mt -76.2 138.78 40.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 77.0 mtp180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.653 0.263 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -65.36 -24.89 67.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.195 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.3 mm-40 -51.43 -38.27 52.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.607 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -58.39 -48.02 81.99 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.79 ' HB3' HD21 ' A' ' 39' ' ' LEU . 58.8 mttp -61.69 -39.62 92.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.439 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.8 tp -58.49 -40.25 82.26 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.488 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.52 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 54.0 m -59.9 -45.2 93.3 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.294 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.896 HG21 HD12 ' B' ' 8' ' ' LEU . 28.0 mm -52.71 -46.07 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.5 mt -61.79 -38.25 87.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.818 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 59.7 mtt -53.25 -51.76 61.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.279 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 38.9 t70 -82.26 -26.58 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.964 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 48.6 tpp -63.01 -36.1 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 33.8 m-85 -137.99 71.79 48.19 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 53.2 Cg_exo -52.34 -37.49 71.61 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.689 2.259 . . . . 0.0 112.497 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.08 32.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.684 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 20' ' ' PHE . 70.8 mt -148.67 133.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.722 0.296 . . . . 0.0 110.829 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -60.93 139.56 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -59.48 -38.14 80.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.9 p -54.18 -46.26 72.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.96 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.66 -47.09 87.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 16' ' ' LEU . 87.8 mt -58.01 -38.36 76.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.589 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 tt0 -62.91 -43.15 99.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.329 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' SER . 66.2 t -59.15 -51.75 68.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -59.92 -41.85 92.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -47.11 86.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -60.88 -46.38 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.743 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.5 -45.83 91.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.001 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' OD1' HD22 ' A' ' 41' ' ' LEU . 75.8 m-20 -79.66 35.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.45 39.17 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.755 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m120 56.66 41.63 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -104.76 129.85 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 12' ' ' LYS . 71.6 mt -79.01 -44.84 21.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.699 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -55.1 -48.55 73.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.659 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 45' ' ' LEU . 4.0 tt -69.82 -59.03 3.19 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 111.027 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.8 m -51.33 -60.48 3.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.4 mt -59.43 -36.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.08 -51.65 34.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD13 HD23 ' A' ' 41' ' ' LEU . 7.4 mp -73.3 -39.6 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.641 0.258 . . . . 0.0 111.05 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 42' ' ' THR . 3.8 mm? -51.56 -43.19 62.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.63 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.0 mt -60.97 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.701 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -87.2 34.55 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.364 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 0.0 111.083 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 24.2 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.919 0.39 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 5.3 mp0 -114.41 138.11 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.711 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.8 pt -129.91 137.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.0 m-85 -77.22 137.94 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.588 ' CG2' HD23 ' B' ' 15' ' ' LEU . 42.5 t -137.1 78.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 37.7 ttpt -79.97 137.22 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.732 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -80.65 163.57 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.918 HD22 HG13 ' B' ' 70' ' ' VAL . 20.6 tp -77.26 52.9 0.96 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -158.01 -55.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.58 58.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.074 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -161.57 115.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.8 m -93.12 134.97 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.475 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' B' ' 15' ' ' LEU . 65.8 mt -120.77 124.36 72.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.657 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 36.3 m -86.85 115.8 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.862 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.588 HD23 ' CG2' ' B' ' 5' ' ' VAL . 3.7 mm? -113.65 131.59 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -81.51 137.37 35.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 1' ' ' MET . 7.8 p -177.23 131.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' B' ' 21' ' ' ASP . 7.3 pm0 -68.53 149.02 49.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.737 ' HA ' HD12 ' B' ' 56' ' ' LEU . 50.8 m -58.75 -42.47 88.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.4 t -80.26 35.61 0.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.474 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.64 ' HB2' ' HG2' ' B' ' 18' ' ' GLU . 9.9 t0 -99.65 -122.15 0.15 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 6.3 t -172.55 140.74 1.07 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.717 0.294 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.692 HD12 HD13 ' B' ' 50' ' ' LEU . 45.6 mm -51.41 -38.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.401 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -51.2 -42.27 60.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.45 -41.61 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.329 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.481 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.5 t -56.88 -48.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.295 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.2 mptm? -61.94 -36.58 81.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -61.83 -50.02 73.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.99 -45.92 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.2 mt -60.0 -39.56 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.673 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.665 HE21 ' HD3' ' B' ' 38' ' ' PRO . 50.8 tt0 -64.21 -45.24 89.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.721 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.77 -45.2 68.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.631 ' NZ ' ' HB2' ' B' ' 33' ' ' LYS . 4.7 ttmp? -64.88 -61.62 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -72.01 -39.0 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.748 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.83 29.4 47.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.116 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.9 mt -87.93 133.93 36.36 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.04 134.38 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.297 1.998 . . . . 0.0 112.083 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.665 ' HD3' HE21 ' B' ' 31' ' ' GLN . 14.4 Cg_endo -57.13 -45.41 35.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.386 2.058 . . . . 0.0 111.707 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -83.29 40.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.558 HE21 HD11 ' B' ' 71' ' ' LEU . 34.5 tt0 -162.19 35.23 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 110.693 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.37 146.35 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -144.0 122.57 12.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.368 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.4 mm? -83.71 123.65 30.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.333 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 47' ' ' LEU . 60.3 mt -111.91 144.25 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.683 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.2 t80 -155.27 141.91 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.689 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.81 -64.48 0.35 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 110.55 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.65 24.08 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.018 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 47' ' ' LEU . 39.1 ttpt -173.42 156.04 2.96 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 16.9 pt20 -59.57 138.14 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.692 HD13 HD12 ' B' ' 23' ' ' ILE . 96.2 mt -70.03 133.09 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 49.3 mt-10 -68.52 133.83 49.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.03 50.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.484 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.85 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.425 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.604 ' O ' HG12 ' B' ' 23' ' ' ILE . 39.4 mmt180 -150.91 135.08 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 21' ' ' ASP . 74.5 p -63.78 156.03 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.3 mt -53.41 -38.8 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 85.8 p -56.62 -28.35 60.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.491 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.3 -56.56 12.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -82.46 30.96 0.4 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 0.0 111.065 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 49.88 34.67 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.495 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.441 HG23 ' OG ' ' B' ' 65' ' ' SER . 68.7 mt -73.54 118.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.36 -67.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 111.195 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 0.2 OUTLIER 179.2 148.64 0.24 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.595 ' OE1' ' HG3' ' B' ' 63' ' ' LYS . 3.9 mp0 58.67 35.94 24.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.441 ' OG ' HG23 ' B' ' 61' ' ' ILE . 53.6 m -77.9 137.15 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.892 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 62.4 m -79.98 129.99 34.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 50' ' ' LEU . 85.5 mt -122.27 126.59 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.777 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -92.55 131.0 38.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.881 0.372 . . . . 0.0 111.922 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.496 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -109.03 106.7 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.205 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.918 HG13 HD22 ' B' ' 8' ' ' LEU . 78.2 t -92.63 122.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.558 HD11 HE21 ' B' ' 40' ' ' GLN . 57.1 tp -81.75 130.58 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.887 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.499 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.149 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -22.89 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.637 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.3 -39.39 45.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.332 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -63.64 -43.49 96.63 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.7 mmtt -62.4 -36.45 82.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.151 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.4 tp -60.74 -40.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.001 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -59.4 -42.93 92.9 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.774 HG21 HD22 ' B' ' 8' ' ' LEU . 37.0 mm -53.64 -46.51 61.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 28' ' ' LEU . 94.2 mt -60.67 -37.21 80.84 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.56 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 84.7 mtp -55.9 -51.72 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 37.8 t70 -81.8 -26.13 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 46.0 tpp -65.45 -37.96 88.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 6.3 m-85 -136.88 69.53 58.09 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.018 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 8.0 Cg_endo -50.5 -40.79 54.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.734 2.289 . . . . 0.0 112.28 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.68 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.475 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.712 HG23 ' HD3' ' A' ' 27' ' ' LYS . 68.7 mt -66.38 139.45 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -63.47 145.22 56.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.273 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -59.01 -47.08 86.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 30' ' ' VAL . 56.6 m -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 23' ' ' ILE . 60.7 tttm -58.94 -44.56 91.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 16' ' ' LEU . 93.6 mt -59.81 -42.82 94.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.877 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 53.7 tt0 -61.01 -42.46 98.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.701 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 98.2 t -59.29 -52.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.2 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -57.22 -48.09 79.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 37' ' ' ASN . 60.7 tp -54.39 -43.7 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 37' ' ' ASN . 96.0 mt -67.25 -34.55 77.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.798 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 49.3 mt-10 -55.81 -56.74 16.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 2.9 m120 -61.92 -71.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.342 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 16.7 t-20 167.76 42.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 72.6 m-20 57.45 40.79 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.83 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -121.83 133.28 54.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 43' ' ' ILE . 92.6 mt -72.51 -40.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.777 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.6 -50.62 67.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.5 mp -74.17 -55.08 6.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 76.8 m -55.01 -54.87 37.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.455 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.704 HD11 HD22 ' A' ' 39' ' ' LEU . 58.7 mt -68.29 -38.71 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.73 -50.74 30.67 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.192 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 41' ' ' LEU . 7.8 mp -77.72 -30.98 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.712 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -57.34 -45.26 84.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.702 -179.187 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' HA ' ' B' ' 48' ' ' LYS . 69.1 mt -54.97 -47.06 75.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.907 0.384 . . . . 0.0 111.133 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.65 -42.19 87.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.525 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' B' ' 16' ' ' GLU . 11.0 mm100 -114.62 155.6 26.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -141.67 126.14 16.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 1.5 m-85 -98.06 95.47 7.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.828 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' B' ' 69' ' ' LEU . 25.5 t -78.75 77.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.652 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 1.7 tmtp? -79.03 123.8 27.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.91 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -73.1 151.38 41.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 15' ' ' ILE . 86.1 mt -48.04 87.59 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.495 ' OG1' HD11 ' A' ' 15' ' ' ILE . 33.1 m 58.97 69.65 0.71 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.33 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 -113.02 0.29 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.349 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.561 ' HE3' HG12 ' B' ' 13' ' ' ILE . 55.3 tttp -90.14 130.97 36.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 57.6 m -99.94 107.38 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.561 HG12 ' HE3' ' B' ' 11' ' ' LYS . 59.5 mt -90.11 98.65 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.48 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.5 m -79.12 142.18 36.64 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' C ' ' B' ' 14' ' ' THR . 11.4 mt -149.95 141.0 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.452 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' B' ' 2' ' ' GLN . 38.9 tt0 -90.14 133.69 34.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.8 m -152.71 134.46 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.007 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.63 146.51 54.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -77.68 42.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.71 38.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.016 0.436 . . . . 0.0 110.749 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.52 ' O ' HG22 ' B' ' 55' ' ' THR . 64.4 m-20 -108.03 -120.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.678 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.652 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.7 t -166.57 143.74 4.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 50' ' ' LEU . 45.6 mm -52.31 -43.25 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.94 -40.48 66.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.652 ' H ' HG23 ' B' ' 22' ' ' THR . 23.3 t-20 -60.28 -41.61 93.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.76 -48.97 86.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HD2' ' OD2' ' B' ' 52' ' ' ASP . 99.3 mttt -60.89 -42.47 98.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.8 p -59.39 -43.26 92.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 28.9 mtpp -60.12 -43.31 95.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.152 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.469 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 69.5 mt -62.18 -39.47 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 52.1 tt0 -62.29 -49.29 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.69 -45.72 85.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.79 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.28 -62.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 30' ' ' ILE . 7.7 mp0 -71.24 -42.18 69.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.06 49.36 3.8 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.174 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -133.75 134.46 23.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.554 0.216 . . . . 0.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.4 Cg_exo -54.65 138.06 74.85 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.622 2.214 . . . . 0.0 112.625 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.55 -40.22 68.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.85 2.367 . . . . 0.0 112.717 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.92 -46.85 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.299 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -64.34 -50.57 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' B' ' 69' ' ' LEU . 19.3 pt20 -70.66 140.34 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -130.45 124.47 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 92.3 mt -96.78 83.07 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.779 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.642 HD13 HD21 ' A' ' 47' ' ' LEU . 63.8 mt -81.74 142.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.541 ' HE2' HG12 ' B' ' 61' ' ' ILE . 20.1 t80 -162.75 142.84 9.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.89 -30.64 0.21 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.713 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 163.16 -14.15 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.311 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.919 ' HA ' HD22 ' A' ' 47' ' ' LEU . 23.6 pttm -164.26 163.21 22.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.894 0.378 . . . . 0.0 111.377 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 3.4 tm0? -52.6 135.48 34.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.466 ' O ' HG13 ' B' ' 23' ' ' ILE . 87.1 mt -75.45 44.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 51.67 -166.59 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' HD2' ' B' ' 27' ' ' LYS . 9.7 t0 -145.4 52.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.067 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.25 48.8 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -141.11 -144.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.464 0.173 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.52 HG22 ' O ' ' B' ' 21' ' ' ASP . 73.0 p -150.49 147.21 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 61' ' ' ILE . 98.2 mt -53.7 -41.01 66.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -62.91 -34.59 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.348 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.33 -50.57 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.268 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.554 ' HB2' HG13 ' B' ' 61' ' ' ILE . 18.0 m-85 -79.35 19.8 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 46.5 37.34 4.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.4 mt -67.71 128.91 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 46.7 tt0 -66.86 -114.9 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.157 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 19.4 ptpt -154.55 153.91 32.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.529 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 11.7 pt-20 46.83 32.9 1.94 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.167 0.508 . . . . 0.0 110.703 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -75.71 137.26 40.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.828 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.559 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.9 m -83.2 100.86 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.61 135.82 33.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 43.0 m170 -86.32 134.29 33.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.009 0.433 . . . . 0.0 111.968 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' B' ' 41' ' ' GLN . 59.3 tp -109.16 133.85 52.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.078 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.58 HG13 HD11 ' B' ' 8' ' ' LEU . 47.8 t -135.37 124.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.931 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 40' ' ' GLN . 47.9 tp -94.81 130.51 41.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.098 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 74.9 mtt-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.396 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 121.022 0.439 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.91 -23.85 60.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.2 pt-20 -50.5 -39.0 47.3 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.183 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -58.43 -48.06 81.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.391 0.615 . . . . 0.0 109.397 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.1 mttm -62.11 -39.17 91.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.425 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.3 tp -59.15 -39.27 81.92 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.475 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.423 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 46.8 t -60.65 -44.56 96.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.21 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.031 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 mm -56.17 -40.67 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.1 mt -61.7 -41.2 97.27 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.466 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.533 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 mtp -54.93 -53.78 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.5 -31.25 62.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.67 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.509 ' SD ' HG21 ' B' ' 44' ' ' ILE . 59.8 tpp -56.75 -38.54 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 4.3 m-85 -130.48 110.71 16.33 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.76 57.11 5.92 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.826 2.351 . . . . 0.0 112.382 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 -46.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.909 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.746 HG23 ' HD3' ' A' ' 27' ' ' LYS . 4.3 mp -74.44 132.04 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.96 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.7 m -68.82 154.38 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 55.6 mtpt -55.77 -39.52 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 m -58.13 -49.62 76.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.746 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.5 tttt -60.61 -50.34 73.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 16' ' ' LEU . 95.9 mt -56.82 -40.62 76.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.71 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.9 tt0 -58.99 -45.45 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.969 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 26' ' ' SER . 98.4 t -58.31 -44.58 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.3 m-70 -59.67 -46.2 89.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.291 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -63.16 -43.51 98.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.036 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.9 mt -58.08 -45.37 87.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 59.9 mm-40 -64.45 -45.48 87.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.644 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -79.36 28.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 5.4 m120 63.12 -72.62 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.927 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 25.9 t-20 178.09 72.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -153.8 127.98 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 12' ' ' LYS . 92.8 mt -77.69 -39.86 43.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.429 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.9 -45.78 74.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.31 -61.23 1.93 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 111.01 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 46' ' ' LEU . 63.0 m -51.86 -62.94 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.175 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.484 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 64.9 mt -55.69 -39.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.62 -45.11 47.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.457 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.4 tt -69.97 -40.12 75.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.343 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.32 -49.55 74.0 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.795 HD13 ' HB3' ' B' ' 49' ' ' GLN . 74.2 mt -53.96 -49.49 68.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.905 0.383 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -82.92 43.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.459 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.074 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' B' ' 19' ' ' SER . 27.4 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.888 0.375 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.483 HE22 ' HE1' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -145.94 -179.02 6.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.378 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.614 HD11 HG21 ' B' ' 17' ' ' VAL . 7.0 pt -146.19 137.1 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.662 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.561 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.7 m-85 -77.9 143.24 37.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.37 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.549 HG21 HD12 ' B' ' 15' ' ' LEU . 61.9 t -133.17 80.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.352 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 65.1 tttp -78.29 121.74 24.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.842 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -73.77 149.02 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.482 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -51.58 -39.69 58.37 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.339 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -74.16 -59.93 2.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 103.16 0.18 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.912 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' B' ' 11' ' ' LYS . 4.9 ttmp? 177.67 117.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.617 0.246 . . . . 0.0 110.684 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -90.06 76.51 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.383 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.483 HG13 ' HG2' ' B' ' 11' ' ' LYS . 61.9 mt -75.91 112.68 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 82.4 m -92.89 142.29 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.624 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG21 ' B' ' 5' ' ' VAL . 12.3 mt -141.69 142.82 33.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.837 0.351 . . . . 0.0 111.261 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.88 124.85 26.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.885 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.614 HG21 HD11 ' B' ' 3' ' ' ILE . 40.9 t -150.32 129.86 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.426 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' B' ' 20' ' ' SER . 42.0 mm-40 -72.6 160.72 31.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.065 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 71.5 p -76.09 27.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.458 ' H ' ' C ' ' B' ' 18' ' ' GLU . 87.6 p -165.1 28.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 38.8 t70 -76.09 -121.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.217 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.481 HG23 ' H ' ' B' ' 25' ' ' ASN . 3.4 t -173.77 138.71 0.66 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.252 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.609 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.5 mm -54.66 -41.5 56.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.668 ' H ' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -53.7 -44.78 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.481 ' H ' HG23 ' B' ' 22' ' ' THR . 22.7 t-20 -58.25 -42.67 86.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -55.99 -47.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.298 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.56 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 63.4 mttp -61.36 -36.45 80.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 m -59.87 -51.17 70.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.39 -46.74 88.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.835 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.29 -37.89 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -46.03 91.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.297 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -67.51 -47.17 70.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.793 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.84 -61.59 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.07 -41.62 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.894 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.53 3.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.386 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -132.43 132.88 23.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.467 0.175 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 10.0 Cg_endo -53.15 138.73 63.22 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.608 2.205 . . . . 0.0 112.112 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.38 -44.55 48.43 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.767 2.311 . . . . 0.0 112.404 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.86 -40.71 93.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' B' ' 72' ' ' ARG . 70.7 tp60 -64.15 -50.6 67.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.188 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.88 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -74.49 138.83 43.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.621 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.591 HH21 ' HG2' ' B' ' 72' ' ' ARG . 12.7 ptp180 -130.49 128.24 40.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 83.6 mt -90.33 138.26 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.509 HG21 ' SD ' ' A' ' 19' ' ' MET . 91.6 mt -127.06 138.94 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.209 0.528 . . . . 0.0 111.311 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 23.8 t80 -163.76 140.87 7.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.389 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 34.01 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 59.38 32.22 72.06 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.905 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' B' ' 47' ' ' GLY . 26.7 mmmt -153.85 138.56 17.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.594 0.235 . . . . 0.0 110.794 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.795 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -66.22 125.89 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.407 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' ' 45' ' ' PHE . 64.7 mt -78.18 128.09 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -78.2 136.32 37.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.341 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 50.2 p-10 -64.34 150.88 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.668 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 86.65 -32.11 4.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.727 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.609 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.4 mmt-85 -65.17 134.2 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.491 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -72.22 150.22 43.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.57 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 72.2 mt -54.36 -38.33 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -54.45 -34.98 62.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.804 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -53.33 -53.87 44.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -85.25 28.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.94 39.18 13.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.3 mt -73.53 121.7 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -80.18 -69.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.59 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -177.94 152.16 0.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.205 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . 16.8 pt-20 44.72 37.54 2.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -69.32 143.99 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 89.8 m -86.59 123.57 31.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.483 HD12 ' C ' ' B' ' 66' ' ' THR . 6.8 mp -119.24 131.84 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.295 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.631 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -93.9 127.21 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.002 0.43 . . . . 0.0 112.121 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' B' ' 41' ' ' GLN . 60.3 tp -94.11 136.99 33.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.851 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.726 HG22 HD13 ' B' ' 8' ' ' LEU . 87.5 t -142.1 144.95 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.884 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.27 141.73 38.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.228 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.65 0.262 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.77 -23.42 58.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 16.1 pt-20 -50.25 -35.95 29.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 14' ' ' SER . 67.6 m -59.82 -49.84 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.75 ' HB3' HD21 ' A' ' 39' ' ' LEU . 46.1 mmtm -56.16 -42.46 77.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.113 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 17' ' ' MET . 53.6 tp -60.73 -35.99 77.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.771 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -58.89 -48.76 80.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.499 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.701 HG13 ' NZ ' ' B' ' 6' ' ' LYS . 2.1 mp -57.53 -40.62 75.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.1 mt -60.5 -45.62 93.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 81.9 mtp -55.95 -51.45 67.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -71.72 -30.46 65.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.968 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 60.0 tpp -60.75 -45.77 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.918 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.707 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 10.5 m-85 -116.87 106.41 47.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.652 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.26 50.11 3.43 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.702 2.268 . . . . 0.0 112.596 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.92 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.4 mt -62.59 132.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -63.16 140.04 58.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -56.34 -39.97 73.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.4 t -58.71 -45.9 88.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.4 tttm -59.19 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.638 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.1 mt -56.84 -41.52 78.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.717 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.44 -42.7 99.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 26' ' ' SER . 92.5 t -58.01 -47.74 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' HB3' HG23 ' A' ' 42' ' ' THR . 93.5 m-70 -61.17 -40.07 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 9' ' ' HIS . 30.3 tp -62.66 -42.97 99.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.17 -47.29 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.582 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.67 -50.85 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.356 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -85.12 32.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 64.9 -71.89 0.07 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.332 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' OD1' HD11 ' A' ' 32' ' ' LEU . 49.2 t30 -179.09 33.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 12' ' ' LYS . 98.9 mt -88.84 -45.13 9.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.839 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.63 -48.03 82.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.4 tt -65.56 -56.95 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 0.0 111.033 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.633 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 94.3 m -55.74 -60.63 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.707 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.3 mt -58.84 -39.12 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.45 -48.91 53.83 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.4 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 45' ' ' LEU . 7.5 tt -69.09 -40.76 78.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 42' ' ' THR . 87.4 mt -55.92 -36.94 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.202 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 90.0 mt -52.37 -43.64 64.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 1.7 mmmp? -81.36 41.22 0.6 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.452 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 -179.512 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.554 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.1 pt20 -137.56 137.71 38.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.736 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -116.82 140.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.099 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.52 142.97 32.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.8 t -127.07 78.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.177 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.701 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 49.6 tttm -69.29 126.58 30.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -91.81 150.04 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.74 HD11 HG13 ' B' ' 70' ' ' VAL . 96.2 mt -47.93 -38.7 17.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 110.542 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -63.1 -57.65 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.4 63.14 0.01 OUTLIER Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.259 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.622 ' NZ ' HG12 ' B' ' 13' ' ' ILE . 61.0 tttm -155.78 118.71 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.047 0.424 . . . . 0.0 111.28 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.578 HG22 ' HB2' ' B' ' 6' ' ' LYS . 76.8 p -91.57 78.19 5.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.648 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.622 HG12 ' NZ ' ' B' ' 11' ' ' LYS . 57.3 mt -61.02 121.6 9.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.773 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.656 ' C ' HD22 ' B' ' 15' ' ' LEU . 78.8 m -90.91 133.16 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.573 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.656 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.21 149.41 52.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.471 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 89.1 tt0 -93.52 126.51 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.933 HG11 HG22 ' B' ' 26' ' ' VAL . 31.4 m -152.12 137.8 11.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.943 0.401 . . . . 0.0 111.368 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.513 ' HG3' ' H ' ' B' ' 20' ' ' SER . 5.4 tp10 -66.61 146.61 54.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.5 m -55.24 -40.48 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.662 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.513 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 54.9 m -97.84 35.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' O ' HG22 ' B' ' 55' ' ' THR . 54.7 t0 -83.45 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.555 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.66 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -172.94 143.51 1.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.7 mm -52.88 -38.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.56 -44.35 76.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.66 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -60.59 -43.17 97.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.933 HG22 HG11 ' B' ' 17' ' ' VAL . 55.8 t -59.2 -46.01 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -61.87 -46.14 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.2 mtpp -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.17 -34.63 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.063 0.459 . . . . 0.0 110.419 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.468 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 7.5 tt0 -60.84 -49.63 76.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.55 -41.9 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.486 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.02 -60.74 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.934 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.456 ' OE2' HD13 ' B' ' 13' ' ' ILE . 62.6 mm-40 -79.81 -40.54 28.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.875 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.72 44.95 3.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD21 ' B' ' 71' ' ' LEU . 65.3 mt -121.16 133.85 24.28 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.437 0.16 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 69.7 Cg_exo -50.85 137.8 42.72 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 0.0 112.055 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.468 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.9 Cg_endo -59.42 -45.1 28.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.592 2.195 . . . . 0.0 112.511 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.77 -44.12 97.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.732 HE21 HD22 ' B' ' 71' ' ' LEU . 42.5 tt0 -61.43 -55.51 30.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.86 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -67.57 143.69 55.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.507 ' HA ' HE22 ' B' ' 49' ' ' GLN . 85.4 mtm180 -137.5 124.49 21.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.53 88.02 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 47' ' ' LEU . 89.4 mt -81.6 141.43 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.253 0.549 . . . . 0.0 111.515 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.746 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.2 t80 -165.14 151.61 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.542 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.72 19.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.334 0.588 . . . . 0.0 109.97 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.23 30.83 76.02 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 113.633 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -173.11 146.11 1.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.206 0.503 . . . . 0.0 111.945 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' B' ' 42' ' ' ARG . 3.4 tp60 -54.56 127.32 27.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.032 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' B' ' 45' ' ' PHE . 79.1 mt -76.3 132.02 39.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 93.9 mt-10 -69.56 131.07 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.51 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.41 -41.57 94.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.988 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.79 50.75 4.32 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.745 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HA ' ' HE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -149.4 133.07 16.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 21' ' ' ASP . 64.8 p -74.56 155.02 38.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.28 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 61' ' ' ILE . 95.0 mt -52.96 -41.01 64.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.2 m -56.48 -33.35 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.632 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -51.83 -56.17 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.603 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.473 ' HB2' HG13 ' B' ' 61' ' ' ILE . 31.1 m-85 -85.53 25.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 48.14 35.92 5.93 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.5 mt -69.1 129.57 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.464 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.88 155.82 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.407 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -48.9 147.76 2.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.554 ' OE1' ' HG3' ' B' ' 2' ' ' GLN . 4.4 mm-40 64.97 38.21 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.23 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -70.03 137.73 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.37 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 46.3 m -85.84 74.6 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.92 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.9 mt -85.22 127.8 34.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.58 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 44.7 m170 -94.96 130.63 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 111.796 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' B' ' 41' ' ' GLN . 62.4 tp -100.75 135.67 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.83 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.74 HG13 HD11 ' B' ' 8' ' ' LEU . 92.5 t -140.61 127.46 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.052 0.453 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.732 HD22 HE21 ' B' ' 40' ' ' GLN . 85.5 mt -78.96 144.76 34.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.323 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 52.1 ttp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.635 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -77.12 -23.35 51.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.465 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 16.3 pt-20 -50.18 -40.02 45.64 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.815 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 15' ' ' ILE . 62.1 m -61.96 -47.65 83.92 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.8 mmtt -57.97 -35.23 70.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.259 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 49.5 tp -63.39 -43.1 98.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.3 p -60.11 -46.67 88.84 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.684 HG21 HD12 ' B' ' 8' ' ' LEU . 1.7 mp -56.39 -40.2 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.84 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.9 mt -61.7 -41.71 97.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.817 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.0 mtt -57.64 -51.29 70.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -71.08 -33.63 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.7 tpp -60.79 -42.6 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.983 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 18.2 m-85 -122.96 99.98 40.63 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.31 49.98 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.771 2.314 . . . . 0.0 112.732 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.19 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.677 0.275 . . . . 0.0 111.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.0 mt -59.07 134.19 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.252 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.3 p -61.19 140.47 57.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.43 -41.93 77.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 t -57.02 -45.32 83.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.9 tttt -59.62 -50.29 74.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.9 mt -56.89 -39.24 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.1 tt0 -64.11 -42.2 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.683 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 26' ' ' SER . 85.4 t -59.54 -50.72 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.8 m-70 -60.66 -43.34 97.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 110.76 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 9' ' ' HIS . 37.7 tp -60.01 -41.43 92.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.061 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 94.9 mt -65.17 -46.3 81.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.536 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.12 -54.13 49.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.556 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.535 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 75.5 m-80 -82.7 35.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.29 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 63.29 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.486 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -178.95 34.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.535 ' OD2' ' HB3' ' A' ' 35' ' ' ASN . 2.3 p30 -90.94 134.3 34.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.989 0.423 . . . . 0.0 111.132 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 12' ' ' LYS . 93.6 mt -92.35 -42.66 9.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.443 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 65.4 tp -69.73 -54.75 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 90.1 m -56.49 -56.9 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.408 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.558 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 65.7 mt -60.77 -41.94 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.53 -46.21 53.3 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.915 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.3 -38.48 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.8 mt -61.89 -41.76 98.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.865 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.3 mt -54.14 -43.15 70.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.917 0.389 . . . . 0.0 110.658 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -65.6 -32.87 74.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.221 -179.724 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 25.7 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -87.15 143.46 27.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 3' ' ' ILE . 49.3 pt -137.66 132.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 111.041 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.598 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -82.05 144.87 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 43.5 t -131.96 78.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.369 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 88.8 tttt -66.38 120.24 12.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -74.32 148.3 41.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.038 HD22 HG13 ' B' ' 70' ' ' VAL . 33.9 tp -46.96 -34.35 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.349 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.0 p -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.91 -42.9 0.32 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.205 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.87 125.97 20.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.779 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 32.4 p -98.2 132.53 43.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -112.72 125.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.507 ' C ' HD22 ' B' ' 15' ' ' LEU . 90.1 m -94.14 129.48 40.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.295 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.661 HD12 ' HZ2' ' B' ' 29' ' ' LYS . 3.9 mm? -121.75 139.98 52.9 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 88.7 tt0 -89.35 122.47 32.61 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.561 HG11 HG22 ' B' ' 26' ' ' VAL . 2.2 p -167.5 129.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.369 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.608 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 80.7 mt-10 -76.46 143.94 40.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.711 ' HA ' HD12 ' B' ' 56' ' ' LEU . 44.4 t -58.93 -21.34 57.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.055 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -72.46 -28.72 63.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.939 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.608 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.2 m-20 -59.89 -121.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.632 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.8 t -167.4 149.04 5.71 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 0.0 111.576 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.9 mm -54.27 -42.44 57.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.52 ' H ' ' H ' ' B' ' 53' ' ' GLY . 33.7 t70 -55.2 -41.47 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.622 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.632 ' H ' HG23 ' B' ' 22' ' ' THR . 23.8 t-20 -61.0 -43.13 99.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.388 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.561 HG22 HG11 ' B' ' 17' ' ' VAL . 84.9 t -57.75 -52.14 61.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.535 ' HG2' HD13 ' B' ' 43' ' ' LEU . 94.2 mttt -58.64 -36.91 74.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.272 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 50.6 m -61.71 -44.27 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.661 ' HZ2' HD12 ' B' ' 15' ' ' LEU . 7.3 mtpm? -59.09 -44.39 91.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.727 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.425 ' CD1' HD21 ' B' ' 43' ' ' LEU . 66.9 mt -64.15 -33.88 65.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.258 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.502 HE21 ' HD3' ' B' ' 38' ' ' PRO . 49.4 tt0 -61.78 -47.43 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.67 -43.03 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.624 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.0 -63.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.954 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.15 -38.0 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.07 8.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.982 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.458 HD13 HD13 ' B' ' 71' ' ' LEU . 70.5 mt -117.36 135.64 23.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.181 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 75.5 Cg_exo -50.67 140.4 37.08 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.484 2.123 . . . . 0.0 112.409 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.502 ' HD3' HE21 ' B' ' 31' ' ' GLN . 49.1 Cg_exo -55.83 -42.05 71.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.637 2.225 . . . . 0.0 112.607 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.36 -41.96 84.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.749 HE21 HD11 ' B' ' 71' ' ' LEU . 40.5 tt0 -60.32 -52.16 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.756 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -86.46 145.95 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 110.76 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.476 ' HD2' ' NE2' ' B' ' 49' ' ' GLN . 82.7 mtm180 -144.3 125.76 14.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.535 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.6 mp -88.18 114.21 24.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.901 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 88.2 mt -101.14 142.97 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HB3' HD21 ' B' ' 50' ' ' LEU . 21.6 t80 -160.24 144.54 14.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.064 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.69 35.02 24.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.151 0.501 . . . . 0.0 110.439 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 29.88 71.38 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.547 -0.752 . . . . 0.0 113.505 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -172.74 137.35 0.77 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.962 0.41 . . . . 0.0 111.778 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.661 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.9 tt0 -58.09 126.45 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.297 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' B' ' 45' ' ' PHE . 73.4 mt -70.36 126.6 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.41 126.64 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.7 p30 -71.78 146.37 48.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.832 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.52 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 108.47 -34.16 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.23 -143.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.307 . . . . 0.0 111.075 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 54.5 p -151.36 145.17 25.1 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.0 mt -55.46 -36.29 66.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.609 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.34 -40.54 94.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.195 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.23 -56.44 21.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 12.3 m-85 -68.81 -11.21 60.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 62.08 38.34 14.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.587 HD12 HD23 ' B' ' 56' ' ' LEU . 75.6 mt -66.73 125.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -67.17 159.19 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.591 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -67.36 136.09 54.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 62.05 41.72 10.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.638 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.8 m -76.9 143.82 39.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 68.5 m -83.53 86.17 7.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.369 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 8.9 mp -86.01 126.87 34.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.782 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 10.2 m-70 -77.08 156.38 31.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.517 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 41' ' ' GLN . 44.9 tp -143.1 91.21 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.038 HG13 HD22 ' B' ' 8' ' ' LEU . 88.7 t -75.75 135.53 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.32 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.749 HD11 HE21 ' B' ' 40' ' ' GLN . 44.1 tp -101.18 126.16 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.899 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 79.5 ttt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.643 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.569 0.223 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -74.02 -26.2 60.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.355 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 56.2 mt-10 -52.65 -38.97 61.33 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.09 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' SER . 25.8 m -59.4 -50.62 73.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.559 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.936 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.2 mttt -59.27 -39.43 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.358 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 16' ' ' LEU . 55.4 tp -61.96 -36.51 81.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.558 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 11' ' ' SER . 44.2 t -59.3 -46.67 87.92 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.71 -39.33 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.545 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.6 mt -59.79 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 59.1 mtm -60.13 -51.2 70.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.524 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.475 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.8 t70 -67.49 -40.78 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.519 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 43' ' ' ILE . 56.0 ttm -60.18 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.273 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.728 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 25.1 m-85 -105.01 92.09 5.01 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.957 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 19' ' ' MET . 87.2 Cg_endo -78.07 59.63 7.04 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.634 2.223 . . . . 0.0 112.224 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 23' ' ' ILE . . . -165.71 -48.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.091 0.472 . . . . 0.0 111.682 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG23 ' HD3' ' A' ' 27' ' ' LYS . 3.9 mp -74.12 135.23 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.801 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -61.78 147.46 46.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.507 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -56.47 -39.14 72.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.088 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.5 m -56.53 -47.59 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.9 tttp -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.919 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -56.97 -39.55 74.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.509 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.5 tt0 -62.28 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.648 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' SER . 68.8 t -60.55 -47.88 90.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.1 m-70 -60.25 -44.1 95.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.77 -41.25 95.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -64.7 -45.66 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.419 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 54.2 mt-10 -58.61 -52.12 67.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.067 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.649 ' HB3' HD23 ' A' ' 41' ' ' LEU . 72.9 m-80 -83.71 32.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 64.75 -72.82 0.06 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -177.92 31.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -86.83 127.81 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 12' ' ' LYS . 76.3 mt -79.71 -52.91 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.751 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.12 -40.86 70.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.646 0.26 . . . . 0.0 111.158 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 35' ' ' ASN . 40.8 tp -68.84 -65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.076 0.465 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 31' ' ' HIS . 97.3 m -51.27 -59.73 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.035 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.728 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 73.4 mt -56.21 -37.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.57 -49.91 44.33 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.634 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 42' ' ' THR . 4.4 mm? -57.76 -41.46 81.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.415 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' B' ' 48' ' ' LYS . 62.0 mt -55.45 -50.01 70.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 0.0 110.111 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 8.5 mtpm? -82.98 42.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.566 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.862 0.363 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.707 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 65.4 mt-30 -146.37 -178.41 6.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 pt -147.83 130.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -88.2 118.21 27.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.415 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.77 96.04 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.252 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.5 tttt -90.97 130.05 36.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.705 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.4 p -93.55 147.95 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.273 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 15' ' ' ILE . 52.5 mt -50.57 -38.58 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -60.67 -57.82 11.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.401 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.01 53.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.584 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.496 ' HE2' HD11 ' B' ' 13' ' ' ILE . 86.8 tttt -138.74 126.36 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.032 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -103.41 138.19 40.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.274 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.496 HD11 ' HE2' ' B' ' 11' ' ' LYS . 75.2 mt -135.76 93.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.523 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.4 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 91.4 m -73.07 143.74 47.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.425 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' B' ' 14' ' ' THR . 9.4 mt -145.68 136.24 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.707 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 43.8 tt0 -75.5 131.59 40.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -151.58 135.97 9.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.375 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 20' ' ' SER . 43.5 tp10 -70.72 149.17 47.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.98 -40.83 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.485 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 53.1 m -82.18 49.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 8.6 t70 -120.22 124.22 45.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.125 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.706 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -71.12 143.46 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.85 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.9 mm -51.79 -41.64 30.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -54.65 -45.86 73.9 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.706 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -57.07 -43.21 81.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.74 179.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.477 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.1 t -59.21 -38.76 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.088 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.598 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.091 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -59.74 -46.35 89.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -59.55 -43.61 93.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 26' ' ' VAL . 68.3 mt -58.15 -41.09 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tp60 -58.25 -47.05 84.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.758 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -62.91 -35.95 81.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -68.84 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.165 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -81.07 -38.49 27.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.04 37.68 11.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.007 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -101.36 133.3 20.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.428 0.156 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.9 Cg_endo -52.17 141.77 47.53 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.704 2.27 . . . . 0.0 112.159 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.29 -42.73 62.98 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.841 2.361 . . . . 0.0 112.837 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.97 -44.05 94.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.981 0.419 . . . . 0.0 110.775 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -67.42 -58.67 4.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.436 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.692 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -69.32 139.44 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 111.796 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.65 110.85 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.273 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.598 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.0 mm? -83.95 110.43 18.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.45 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.59 HD13 HD21 ' A' ' 47' ' ' LEU . 77.2 mt -98.24 142.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.824 ' HB3' HD21 ' B' ' 50' ' ' LEU . 34.6 t80 -163.2 146.18 10.43 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.52 -32.97 0.25 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.721 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' HD1' ' A' ' 20' ' ' PHE . . . 164.1 -17.19 0.11 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.822 ' HA ' HD22 ' A' ' 47' ' ' LEU . 22.9 pttm -158.95 165.41 34.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.394 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.59 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -53.31 134.37 39.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.2 mt -70.27 135.74 49.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 50.2 mt-10 -70.58 132.26 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.66 142.37 57.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.563 ' H ' ' HB2' ' B' ' 24' ' ' ASP . . . 93.83 -31.59 6.44 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.942 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.597 ' O ' HG12 ' B' ' 23' ' ' ILE . 12.2 mmp_? -64.7 134.7 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.376 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -75.88 151.74 37.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 83.0 mt -53.37 -40.28 64.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.8 p -55.31 -32.98 62.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.265 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.86 -53.89 51.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.344 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.579 ' HB2' HG13 ' B' ' 61' ' ' ILE . 21.8 m-85 -83.45 16.46 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 49.3 34.25 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.579 HG13 ' HB2' ' B' ' 59' ' ' TYR . 68.2 mt -71.77 123.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.4 pm0 -84.02 -155.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -96.94 148.41 22.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.03 42.73 15.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -73.75 -152.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.1 m -162.63 131.67 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.1 133.8 55.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.324 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.516 ' ND1' ' HB2' ' A' ' 19' ' ' MET . 33.3 m170 -93.85 109.76 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' B' ' 41' ' ' GLN . 64.2 tp -76.23 137.34 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.199 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.6 HG22 HD11 ' B' ' 8' ' ' LEU . 57.4 t -140.62 129.87 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.934 0.397 . . . . 0.0 111.286 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.9 mp -85.91 141.65 29.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.857 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.498 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.961 0.41 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.622 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -81.58 -22.98 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.0 pt-20 -49.86 -34.66 20.67 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.754 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -58.88 -48.98 79.5 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.82 ' HB3' HD21 ' A' ' 39' ' ' LEU . 38.7 mtmm -59.98 -38.29 82.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.304 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.89 -38.88 87.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.702 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -59.22 -47.84 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.647 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.928 HG21 HD22 ' B' ' 8' ' ' LEU . 1.7 mp -57.66 -40.23 74.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.114 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.3 mt -60.24 -42.03 94.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.821 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 81.7 mtp -61.9 -50.94 70.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.558 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -67.55 -44.33 78.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.611 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 56.8 ttm -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.206 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.668 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 26.8 m-85 -102.03 98.13 9.57 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.44 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 19' ' ' MET . 90.8 Cg_endo -80.16 50.77 3.65 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.613 2.208 . . . . 0.0 112.955 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.98 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 27' ' ' LYS . 63.3 mt -59.92 134.05 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.287 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 t -65.94 144.3 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 60.0 mtpt -55.1 -44.88 75.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.0 t -56.7 -44.8 81.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.098 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HD2' HG23 ' A' ' 23' ' ' ILE . 25.1 ttmm -61.25 -48.99 78.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.073 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.3 mt -56.75 -41.29 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.933 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -63.06 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 26' ' ' SER . 89.6 t -58.94 -51.53 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' HB3' HG23 ' A' ' 42' ' ' THR . 83.2 m-70 -60.93 -41.31 95.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 53.4 tp -60.38 -43.67 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.17 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.1 mt -63.41 -47.86 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.401 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 -44.35 91.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -77.29 34.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 45.87 38.03 4.07 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 76.3 m-20 57.92 42.77 22.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.037 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.79 128.38 49.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 0.0 111.025 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.82 HD21 ' HB3' ' A' ' 12' ' ' LYS . 87.0 mt -79.35 -48.97 13.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.624 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.8 -39.03 90.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.902 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 41' ' ' LEU . 3.0 tm? -71.88 -55.76 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.679 0.276 . . . . 0.0 111.041 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 63.2 m -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.668 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 68.0 mt -60.79 -42.55 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.33 -45.43 52.72 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.972 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.2 tt -68.13 -40.78 82.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 109.967 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 42' ' ' THR . 94.5 mt -60.91 -29.27 69.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.731 HD21 HD13 ' B' ' 44' ' ' ILE . 76.5 mt -63.52 -46.84 84.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.271 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -77.18 30.13 0.14 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 178.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.721 ' HE1' HD13 ' B' ' 56' ' ' LEU . 1.5 tmt? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.55 166.52 16.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 17' ' ' VAL . 12.2 pt -142.97 132.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.015 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -81.88 150.58 27.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.708 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' B' ' 69' ' ' LEU . 45.7 t -137.36 78.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 86.2 tttt -80.14 116.81 20.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.644 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 11' ' ' LYS . 2.3 t -80.12 141.95 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 15' ' ' ILE . 36.2 mt -49.43 -34.88 17.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.757 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -51.44 -55.0 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.549 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.55 54.36 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.968 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 7' ' ' THR . 7.5 tmtm? -162.13 118.54 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.852 0.358 . . . . 0.0 110.799 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 54.7 m -85.87 134.24 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.578 HG21 ' NZ ' ' B' ' 33' ' ' LYS . 64.7 mt -124.38 109.9 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 111.45 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -83.02 145.93 29.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.643 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.559 HD21 ' HZ2' ' B' ' 33' ' ' LYS . 14.0 mt -146.28 143.85 29.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.609 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -74.55 125.16 28.02 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.615 HG21 HD11 ' B' ' 3' ' ' ILE . 25.4 t -150.46 132.67 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 0.0 111.842 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.23 141.8 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.233 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.1 m -59.74 -30.38 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 m -102.24 31.14 4.12 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.749 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 35.4 t70 -79.33 -128.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.752 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.8 t -175.03 140.46 0.53 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.66 0.267 . . . . 0.0 110.729 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.621 HG22 ' HE3' ' B' ' 27' ' ' LYS . 32.4 mm -51.99 -37.91 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 8.1 t70 -58.03 -47.1 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.752 ' H ' HG23 ' B' ' 22' ' ' THR . 49.4 t30 -59.88 -42.44 93.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.741 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.533 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.46 -47.55 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' B' ' 23' ' ' ILE . 96.9 mttt -61.12 -41.15 96.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.428 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -58.41 -45.07 89.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.563 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.54 -40.43 96.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.346 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.533 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.5 mt -60.15 -42.48 90.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.438 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.7 tp60 -62.02 -51.57 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.42 -38.92 85.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.403 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.737 ' HE3' ' HG3' ' B' ' 34' ' ' GLU . 36.3 ttpt -73.68 -76.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.27 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.737 ' HG3' ' HE3' ' B' ' 33' ' ' LYS . 49.9 mt-10 -69.03 -35.84 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.43 37.32 31.66 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.177 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.402 HG21 HD22 ' B' ' 71' ' ' LEU . 63.8 mt -91.97 133.81 29.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.129 . . . . 0.0 110.771 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 7.3 Cg_endo -50.86 133.46 39.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.6 Cg_exo -56.13 -41.15 79.78 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.314 2.01 . . . . 0.0 111.691 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.92 33.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.719 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 36.6 tt0 -161.29 31.6 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.009 0.433 . . . . 0.0 110.724 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.474 ' HB2' HE21 ' B' ' 41' ' ' GLN . 0.0 OUTLIER -166.26 139.81 4.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.728 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.622 ' HB2' HE21 ' B' ' 49' ' ' GLN . 3.9 ptp85 -154.74 134.33 12.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.334 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' B' ' 30' ' ' ILE . 98.6 mt -87.01 125.56 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.667 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.762 HD12 HG21 ' B' ' 70' ' ' VAL . 88.5 mt -117.2 141.33 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.484 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.447 ' CE2' HG12 ' B' ' 61' ' ' ILE . 21.5 t80 -158.24 150.46 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.652 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.95 31.42 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.66 32.38 74.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.616 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.529 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.4 ttpm? -172.71 142.48 1.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.231 0.515 . . . . 0.0 111.816 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.622 HE21 ' HB2' ' B' ' 42' ' ' ARG . 49.3 tt0 -56.37 131.57 48.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.757 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' B' ' 45' ' ' PHE . 85.1 mt -82.61 129.73 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.46 133.06 49.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.24 -41.56 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 43.7 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.83 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.569 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.9 mmt-85 -146.98 132.9 19.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.897 0.379 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.1 p -74.18 155.29 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' B' ' 1' ' ' MET . 93.3 mt -53.06 -41.11 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.938 0.399 . . . . 0.0 110.83 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -58.6 -31.38 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.02 -56.34 14.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.459 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.454 ' HB2' HG13 ' B' ' 61' ' ' ILE . 54.9 m-85 -82.64 26.04 0.6 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 49.37 33.08 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 56' ' ' LEU . 63.9 mt -66.81 126.24 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.992 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -74.97 -138.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.782 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -120.71 142.38 49.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 61.32 40.41 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -69.53 139.11 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 75.4 m -88.41 87.25 7.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.535 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -85.91 134.06 33.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.128 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 37.3 m170 -89.13 120.08 30.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.411 ' HB2' ' CG1' ' B' ' 5' ' ' VAL . 64.7 tp -83.56 81.07 8.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.442 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.762 HG21 HD12 ' B' ' 44' ' ' ILE . 83.1 t -71.91 122.42 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.891 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.402 HD22 HG21 ' B' ' 36' ' ' ILE . 90.4 mt -99.72 137.39 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.517 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.719 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 51.7 ttt-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.632 0.253 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CE1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -69.96 -22.86 63.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.482 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 46.7 mt-10 -50.22 -37.46 35.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -60.5 -45.21 94.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HB3' HD21 ' A' ' 39' ' ' LEU . 25.7 mmtp -59.42 -39.12 82.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.861 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.5 tp -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.898 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 m -58.66 -47.15 85.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.542 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.897 HG21 ' HG ' ' B' ' 8' ' ' LEU . 1.7 mp -57.75 -40.29 74.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.005 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' A' ' 28' ' ' LEU . 93.5 mt -60.64 -42.11 96.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.1 mtt -63.24 -53.94 45.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 8.4 t70 -65.59 -44.43 86.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.398 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.621 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 57.9 ttm -60.43 -45.5 93.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.147 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.715 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 33.3 m-85 -106.59 89.93 4.57 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.23 51.32 3.65 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.701 2.267 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.81 -39.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 27' ' ' LYS . 66.4 mt -63.32 133.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -65.3 145.95 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.84 -42.38 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 30' ' ' VAL . 52.8 m -59.13 -48.52 81.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.141 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.801 ' HD2' HG23 ' A' ' 23' ' ' ILE . 4.9 ttmp? -57.84 -43.09 85.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.098 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.785 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -60.1 -46.55 89.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.62 -40.24 96.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 26' ' ' SER . 87.9 t -63.62 -56.87 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.785 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 6.3 p80 -60.86 -42.05 97.08 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.424 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 53.4 tp -57.84 -48.71 78.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.351 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 9' ' ' HIS . 89.9 mt -68.52 -47.21 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 57.0 mt-10 -53.94 -45.52 71.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -64.73 -76.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.14 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER 171.08 36.04 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.117 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.17 38.74 30.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.81 138.24 47.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.701 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 12' ' ' LYS . 86.6 mt -85.46 -56.52 3.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.77 -42.54 71.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 41' ' ' LEU . 2.5 tm? -69.71 -60.51 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.317 . . . . 0.0 111.516 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 21.5 m -57.46 -55.12 38.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.261 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.715 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 80.8 mt -57.77 -41.85 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -46.88 60.01 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.859 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.6 tt -67.56 -38.82 84.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.275 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.9 mt -60.28 -38.23 82.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.05 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.976 HD22 ' HA ' ' B' ' 48' ' ' LYS . 48.2 mt -48.66 -47.42 40.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.882 0.373 . . . . 0.0 111.138 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -69.26 -39.37 78.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.236 -179.379 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.609 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.9 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.044 0.45 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.41 157.99 35.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.238 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 pt -148.1 130.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.556 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -77.1 142.18 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.478 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.6 t -129.61 80.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.988 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.633 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 63.6 tttp -77.08 135.31 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.522 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.5 p -101.22 137.21 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 15' ' ' ILE . 10.3 mp -52.11 -34.56 44.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.695 0.283 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -58.74 -53.71 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.44 57.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.815 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -160.59 122.93 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.21 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.1 m -103.03 138.71 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.784 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' B' ' 15' ' ' LEU . 57.1 mt -131.76 126.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 111.206 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.69 ' C ' HD22 ' B' ' 15' ' ' LEU . 88.5 m -93.91 133.96 36.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.474 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.69 HD22 ' C ' ' B' ' 14' ' ' THR . 3.3 mm? -134.36 142.73 47.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -94.57 129.62 41.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 1' ' ' MET . 22.2 m -149.43 136.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.976 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 20' ' ' SER . 39.6 tt0 -66.43 150.84 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.9 p -54.08 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.793 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.479 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 38.6 t -90.73 33.07 0.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.46 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 22' ' ' THR . 27.9 t70 -83.67 -141.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.64 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -166.08 144.36 5.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.929 0.395 . . . . 0.0 111.038 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.6 mm -50.97 -40.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.158 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.06 -43.86 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.311 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.64 ' H ' HG23 ' B' ' 22' ' ' THR . 2.2 m120 -59.08 -44.95 91.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.911 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.505 HG22 HG11 ' B' ' 17' ' ' VAL . 45.4 t -59.39 -45.1 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.583 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.22 88.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -59.54 -46.15 89.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.097 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -58.7 -47.8 83.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.433 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.1 -36.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.4 tt0 -60.3 -44.19 95.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.14 -44.24 72.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.546 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.668 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.1 mtpm? -65.89 -62.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.32 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.086 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 79.51 37.98 22.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.849 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -110.11 134.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.03 144.54 56.95 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.561 2.174 . . . . 0.0 111.976 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.2 Cg_endo -53.36 -40.51 77.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.753 2.302 . . . . 0.0 112.41 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.02 -40.98 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.783 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -79.09 35.44 0.26 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.257 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.913 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -166.66 146.37 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.935 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.752 HH21 HD11 ' A' ' 47' ' ' LEU . 40.1 mtp180 -143.81 123.47 13.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 69.2 mt -90.85 83.21 5.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 47' ' ' LEU . 79.5 mt -81.67 137.54 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.723 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.53 ' HE2' HG12 ' B' ' 61' ' ' ILE . 27.5 t80 -161.31 144.61 12.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.878 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.11 -31.54 0.19 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.187 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 174.66 -24.39 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.052 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.976 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.37 167.79 17.4 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.931 0.396 . . . . 0.0 111.684 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 2.9 pt20 -53.08 129.93 32.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.202 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HD2' ' B' ' 45' ' ' PHE . 50.4 mt -76.24 139.53 41.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.629 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.54 134.56 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -76.37 46.35 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.678 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.34 47.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.408 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 23' ' ' ILE . 27.1 mmm180 -145.63 133.28 20.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.425 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.5 p -63.9 148.75 48.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.6 -37.45 50.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -55.22 -36.22 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.867 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.41 -56.57 15.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.561 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HB2' HG13 ' B' ' 61' ' ' ILE . 50.7 m-85 -82.46 11.43 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.619 0.247 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 50.3 38.52 17.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.53 HG12 ' HE2' ' B' ' 45' ' ' PHE . 71.7 mt -63.64 128.9 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.422 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.68 ' NE2' ' H ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -80.75 147.75 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.744 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -63.12 138.21 58.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 65.03 39.25 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.897 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' B' ' 66' ' ' THR . 49.7 m -80.3 -148.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.66 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.537 ' C ' HD12 ' B' ' 67' ' ' LEU . 87.8 m -161.03 130.98 4.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.032 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.537 HD12 ' C ' ' B' ' 66' ' ' THR . 6.6 mp -123.41 144.43 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.624 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 36.3 m170 -97.02 128.7 44.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.174 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' B' ' 41' ' ' GLN . 63.8 tp -103.26 96.62 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.56 HG21 HD12 ' B' ' 44' ' ' ILE . 45.8 t -74.29 134.21 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.597 ' HG ' ' HG3' ' B' ' 72' ' ' ARG . 62.9 tp -72.13 124.68 25.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.635 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.783 ' HA ' ' HA ' ' B' ' 40' ' ' GLN . 95.9 mtt180 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 121.487 0.661 . . . . 0.0 112.061 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.707 0.289 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -71.1 -23.47 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 109.942 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 57.2 mm-40 -50.1 -35.61 26.26 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -59.73 -48.39 81.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.676 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.14 -40.28 80.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 178.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 16' ' ' LEU . 45.6 tp -62.89 -40.15 96.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.798 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -59.31 -46.55 88.28 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.91 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.43 -41.99 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 13' ' ' LEU . 87.5 mt -59.58 -41.42 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 60.2 mtt -61.88 -55.78 26.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.429 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.564 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 63.3 t0 -65.22 -42.86 93.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.342 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 55.2 ttm -59.47 -42.07 91.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.684 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 49.6 m-85 -113.85 76.97 3.39 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 73.9 Cg_endo -74.33 51.64 2.58 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.745 2.297 . . . . 0.0 112.562 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.2 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.141 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -64.69 135.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -60.39 139.66 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -56.06 -34.27 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.8 p -53.15 -50.2 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.48 -44.44 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.3 mt -60.34 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.04 -40.91 91.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.226 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 26' ' ' SER . 81.4 t -61.83 -55.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.106 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.729 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.9 p80 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.346 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 45.0 tp -58.24 -47.63 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.38 -48.94 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.14 -47.44 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.87 40.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 43.75 47.06 6.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 32' ' ' LEU . 12.0 p-10 41.56 39.8 1.2 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.572 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.3 140.82 32.25 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.606 0.241 . . . . 0.0 110.622 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' HG3' ' A' ' 12' ' ' LYS . 87.8 mt -98.0 -55.19 2.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.33 -47.24 85.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.42 -56.21 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.569 HG21 ' ND1' ' A' ' 31' ' ' HIS . 56.3 m -56.77 -55.42 34.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.684 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 77.4 mt -64.0 -41.41 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.16 -48.96 31.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.7 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 45' ' ' LEU . 6.6 tt -67.46 -40.47 85.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.503 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.38 -37.88 73.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.908 HD22 ' HA ' ' B' ' 48' ' ' LYS . 35.9 mt -61.91 -46.99 86.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.039 0.447 . . . . 0.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -81.35 41.71 0.63 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.46 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.321 0.582 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.581 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 25.8 mt-30 -69.86 167.52 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.69 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.491 HD13 HG21 ' B' ' 17' ' ' VAL . 33.5 pt -149.27 135.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 4.3 m-85 -82.73 144.87 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.639 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.83 78.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.88 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 86.2 tttt -73.65 125.65 28.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.887 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -84.23 145.9 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.903 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.954 HD11 HG22 ' B' ' 70' ' ' VAL . 37.9 mt -50.09 -36.98 31.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.751 0.31 . . . . 0.0 110.636 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -62.38 -54.36 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.92 -40.82 0.35 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.125 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -55.18 130.98 44.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.581 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 90.3 m -113.65 133.93 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.684 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -116.51 128.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 111.587 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -99.84 136.22 40.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' HG12 ' B' ' 3' ' ' ILE . 40.9 mt -144.77 138.15 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.458 . . . . 0.0 111.136 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 89.0 tt0 -86.12 134.05 33.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.723 HG11 HG22 ' B' ' 26' ' ' VAL . 28.9 m -150.43 134.26 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.585 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 88.3 tt0 -67.44 145.66 54.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.58 ' HA ' HD12 ' B' ' 56' ' ' LEU . 57.5 m -77.29 42.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -160.44 40.45 0.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.585 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.4 m-20 -121.56 -121.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.705 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.587 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -167.46 145.78 4.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 111.183 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.518 HG22 ' HE3' ' B' ' 27' ' ' LYS . 45.8 mm -51.45 -37.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -55.78 -42.12 75.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.587 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -57.26 -45.16 84.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.301 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.723 HG22 HG11 ' B' ' 17' ' ' VAL . 59.8 t -59.83 -46.03 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.461 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 31' ' ' GLN . 97.1 mttt -57.69 -44.45 85.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.398 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -58.14 -44.05 87.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.508 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 54.5 mtpt -59.56 -41.21 89.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.4 mt -60.65 -43.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 27' ' ' LYS . 15.7 mt-30 -58.05 -54.51 46.12 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.633 0.73 . . . . 0.0 110.531 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.01 -38.13 78.51 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -73.09 -76.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.029 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.18 -42.44 96.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.784 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.13 57.74 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.343 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.5 HG23 ' NE2' ' B' ' 40' ' ' GLN . 76.7 mt -143.39 130.21 10.54 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.539 0.209 . . . . 0.0 111.143 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.663 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 18.4 Cg_endo -59.12 143.13 99.9 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.547 2.165 . . . . 0.0 112.213 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.49 -32.38 93.59 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.97 2.446 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 8.4 t70 -55.77 -47.44 77.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.845 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.663 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 19.6 pt20 -89.52 38.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.592 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 3.1 pt20 -167.96 137.2 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 111.0 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.612 ' HE ' ' NE2' ' B' ' 49' ' ' GLN . 23.5 mmm180 -134.16 124.78 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.291 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.8 mp -84.55 121.36 27.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.145 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 72.8 mt -108.4 142.64 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.223 0.535 . . . . 0.0 111.911 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' CE2' HG12 ' B' ' 61' ' ' ILE . 29.5 t80 -152.9 145.77 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.191 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.571 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.98 -65.27 0.3 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.594 0.559 . . . . 0.0 110.884 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.26 17.23 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.707 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.908 ' HA ' HD22 ' A' ' 47' ' ' LEU . 24.2 pttm -173.72 156.71 2.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.901 0.381 . . . . 0.0 111.23 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.612 ' NE2' ' HE ' ' B' ' 42' ' ' ARG . 3.2 pt20 -58.48 126.41 27.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.411 ' HB2' HG21 ' B' ' 23' ' ' ILE . 82.6 mt -70.48 137.02 49.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.041 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.93 139.23 56.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 2.3 p30 -77.88 46.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.96 50.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -145.75 135.52 23.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.908 0.385 . . . . 0.0 111.333 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.2 p -65.34 153.65 40.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.383 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' B' ' 19' ' ' SER . 94.0 mt -55.61 -41.72 73.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -59.28 -29.19 67.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.729 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -52.26 -57.31 10.1 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.671 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.88 22.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.59 0.233 . . . . 0.0 111.068 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.416 ' N ' HD22 ' B' ' 60' ' ' ASN . 2.6 m120 49.37 38.11 13.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.0 110.34 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.6 mt -62.3 127.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.848 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' B' ' 65' ' ' SER . 3.2 mm100 -84.97 156.55 21.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.325 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 14.8 ptmm? -53.17 146.29 11.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 24.7 pt-20 45.36 40.66 5.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.799 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.9 t -71.17 138.5 49.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.2 m -86.18 130.76 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.077 0.465 . . . . 0.0 112.065 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 ' C ' ' B' ' 66' ' ' THR . 8.2 mp -123.41 135.5 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.941 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.564 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 35.8 m170 -91.79 116.17 28.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.007 0.432 . . . . 0.0 111.98 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' B' ' 8' ' ' LEU . 63.9 tp -84.97 128.78 34.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.954 HG22 HD11 ' B' ' 8' ' ' LEU . 49.7 t -114.91 118.76 59.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.471 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 40' ' ' GLN . 54.0 tp -89.46 127.83 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.583 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 45.8 mtp85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.762 0.315 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -23.59 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.054 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -50.66 -34.75 27.65 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.319 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' HG12 ' A' ' 15' ' ' ILE . 48.2 t -59.46 -49.28 78.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.906 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.8 mttm -63.74 -37.53 87.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.451 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -41.38 95.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.255 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -61.42 -42.23 98.41 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.93 HG21 HD12 ' B' ' 8' ' ' LEU . 21.7 mm -55.5 -41.44 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.51 -42.38 99.47 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.815 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -54.82 -52.3 63.12 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.005 0.431 . . . . 0.0 110.025 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.33 -29.32 64.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 57.6 tpp -63.8 -39.01 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.664 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CG ' HD12 ' A' ' 23' ' ' ILE . 17.7 m-85 -130.78 111.97 16.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.337 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.9 -41.86 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.311 2.008 . . . . 0.0 112.374 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.78 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.0 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.788 HG23 ' HD3' ' A' ' 27' ' ' LYS . 59.3 mt -64.52 132.03 30.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.983 0.421 . . . . 0.0 111.615 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.9 p -71.52 146.84 48.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.73 -40.48 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.6 p -58.65 -47.41 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.788 ' HD3' HG23 ' A' ' 23' ' ' ILE . 61.9 tttm -59.01 -48.76 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.5 tt0 -62.65 -41.28 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.289 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 26' ' ' SER . 61.8 t -60.16 -49.67 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -59.61 -45.16 92.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.242 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.69 -39.8 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.5 mt -71.5 -40.56 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.972 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 50.6 mt-10 -51.42 -63.23 1.2 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 75.5 m-80 -63.05 -63.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 110.467 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 50.8 t30 172.47 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.026 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 p30 173.43 33.01 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.558 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.92 140.12 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 12' ' ' LYS . 74.8 mt -91.26 -50.58 5.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.16 -40.39 89.73 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.442 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.42 -58.01 4.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.454 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 87.4 m -56.05 -53.3 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 66.4 mt -62.14 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.41 -42.52 57.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.216 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 -46.86 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.901 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mt -61.17 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.109 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.551 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.0 mt -55.02 -41.24 71.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 87.2 tttt -82.08 39.54 0.58 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 86.7 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.0 mt-30 -77.37 147.07 36.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.915 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -137.3 138.01 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -79.51 145.76 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.86 97.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.8 ' HG2' HG22 ' B' ' 12' ' ' THR . 28.4 mtpp -78.23 139.5 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.565 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 74.6 p -93.54 145.9 24.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.553 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.014 HD22 HG13 ' B' ' 70' ' ' VAL . 45.1 tp -50.48 -35.88 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -70.53 -61.98 1.56 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.89 65.78 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.148 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -159.52 125.36 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 111.233 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.8 HG22 ' HG2' ' B' ' 6' ' ' LYS . 47.2 p -87.89 142.18 28.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.244 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' B' ' 15' ' ' LEU . 59.0 mt -132.05 118.6 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.38 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.626 ' C ' HD22 ' B' ' 15' ' ' LEU . 55.4 m -84.12 132.09 34.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.535 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.626 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.04 153.15 49.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.605 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 5.6 tp10 -107.27 124.28 49.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.915 HG22 HD12 ' B' ' 3' ' ' ILE . 31.2 m -150.56 133.4 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.04 0.448 . . . . 0.0 111.604 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.557 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 42.2 tp10 -67.87 150.82 48.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.542 ' HA ' HD12 ' B' ' 56' ' ' LEU . 37.0 t -77.15 41.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -163.53 32.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.963 0.411 . . . . 0.0 110.946 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.557 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.2 m-20 -98.2 -122.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.678 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.1 t -169.09 147.46 3.85 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.576 0.227 . . . . 0.0 110.94 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 54' ' ' ARG . 44.8 mm -51.18 -43.88 28.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 8.0 t70 -55.16 -39.91 70.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.275 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.678 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -56.75 -44.67 81.96 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.955 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.39 -39.26 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 48.7 mmtm -57.95 -47.1 83.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.792 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.572 ' HA ' ' NE2' ' B' ' 31' ' ' GLN . 50.1 m -63.18 -43.29 98.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.754 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.601 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.2 mtpm? -62.36 -44.58 96.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.375 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.57 HD12 HD21 ' B' ' 43' ' ' LEU . 83.5 mt -64.27 -50.48 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.608 ' HG3' ' H ' ' B' ' 32' ' ' ASP . 20.3 pt20 -61.24 -54.97 37.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.909 0.385 . . . . 0.0 111.631 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.608 ' H ' ' HG3' ' B' ' 31' ' ' GLN . 64.0 t0 -54.85 -40.57 69.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.83 -69.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 112.027 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.67 -54.53 13.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.841 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.32 61.94 0.34 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.374 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.597 HD12 HD21 ' B' ' 69' ' ' LEU . 69.5 mt -136.9 132.96 18.52 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-N 116.789 0.294 . . . . 0.0 111.317 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 54.2 Cg_exo -52.03 137.31 53.45 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.439 2.093 . . . . 0.0 112.026 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.83 -44.29 31.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.701 2.267 . . . . 0.0 112.822 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.48 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 35.4 p-10 -64.4 -40.05 95.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.794 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.576 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 26.4 mt-30 -72.98 -46.86 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.498 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.49 134.71 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.623 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.533 ' HE ' ' HB3' ' B' ' 49' ' ' GLN . 79.2 ttt180 -134.42 114.22 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.506 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.57 HD21 HD12 ' B' ' 30' ' ' ILE . 8.7 mp -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.381 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 47' ' ' LEU . 91.2 mt -100.73 142.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.841 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -164.36 141.01 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.785 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.2 33.59 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.27 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.11 72.52 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.838 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.551 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -173.14 144.56 1.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.304 0.552 . . . . 0.0 111.912 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.549 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -58.4 137.13 57.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.003 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' ' 45' ' ' PHE . 83.3 mt -75.78 130.84 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.785 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 51.6 mt-10 -66.86 136.09 54.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -66.17 138.9 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.655 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.489 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 77.55 41.32 20.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.126 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.574 ' O ' HG12 ' B' ' 23' ' ' ILE . 38.7 mmt180 -127.29 132.81 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 0.0 111.039 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -68.37 145.65 53.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' B' ' 19' ' ' SER . 88.6 mt -54.44 -40.96 68.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -59.76 -32.48 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.419 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.88 -54.84 32.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.273 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.48 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.0 m-85 -82.7 20.76 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.822 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 49.49 34.14 6.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.5 mt -69.18 126.43 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.1 -155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.09 145.07 29.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 88.7 mt-10 60.1 40.32 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 -151.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 88.1 m -158.64 128.96 5.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.73 134.96 53.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.0 m-70 -95.81 127.67 42.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 111.74 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.597 HD21 HD12 ' B' ' 36' ' ' ILE . 68.7 tp -95.67 126.97 41.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.895 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.014 HG13 HD22 ' B' ' 8' ' ' LEU . 70.2 t -141.27 133.49 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.106 0.479 . . . . 0.0 111.157 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 59.5 tp -75.51 133.93 40.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.328 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 99.7 mtt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.691 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.628 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.12 -23.81 63.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.457 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 14.9 pt-20 -50.66 -38.63 47.56 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.637 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -58.32 -47.93 82.16 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HB3' HD21 ' A' ' 39' ' ' LEU . 62.3 mttp -60.97 -38.21 85.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.361 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.0 tp -60.09 -39.26 85.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -59.4 -46.25 89.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.293 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.571 HG22 ' SD ' ' A' ' 19' ' ' MET . 7.0 mm -56.34 -42.82 75.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.762 ' HB3' HD13 ' A' ' 28' ' ' LEU . 96.7 mt -58.68 -41.51 86.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.42 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.574 ' SD ' ' HD3' ' A' ' 25' ' ' LYS . 75.4 mtm -62.08 -51.37 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.4 t70 -67.71 -36.28 80.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.094 0.473 . . . . 0.0 110.483 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' HD13 ' A' ' 43' ' ' ILE . 6.9 mtt -69.2 -33.14 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.509 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.9 m-85 -136.79 64.92 52.0 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 71.4 Cg_exo -49.83 -42.28 44.66 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.713 2.275 . . . . 0.0 112.584 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.91 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 20' ' ' PHE . 72.5 mt -68.97 134.26 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -65.2 140.95 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HD3' ' SD ' ' A' ' 17' ' ' MET . 25.7 ttpp -56.26 -37.56 69.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 30' ' ' VAL . 80.6 p -55.65 -48.35 75.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.164 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.9 ttmp? -61.03 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 16' ' ' LEU . 85.8 mt -57.82 -40.05 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.62 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 52.0 tt0 -62.91 -42.58 99.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 26' ' ' SER . 68.6 t -59.06 -49.26 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -60.36 -41.5 93.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 9' ' ' HIS . 56.0 tp -61.14 -42.58 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 89.7 mt -62.74 -44.46 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 56.5 mt-10 -58.53 -54.5 46.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.263 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -81.1 36.71 0.42 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 64.48 -73.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.271 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 177.37 36.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -97.15 130.13 44.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 12' ' ' LYS . 68.6 mt -79.59 -43.51 22.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.001 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.24 -50.78 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.98 -57.6 5.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 46' ' ' LEU . 91.8 m -55.94 -62.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.444 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.803 HD11 HD22 ' A' ' 39' ' ' LEU . 63.2 mt -57.37 -40.17 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.96 -46.0 55.79 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.854 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.8 -39.04 76.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.808 0.337 . . . . 0.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 42' ' ' THR . 4.1 mm? -56.38 -39.04 72.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' B' ' 49' ' ' GLN . 47.3 mt -54.86 -49.34 71.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.844 0.354 . . . . 0.0 110.765 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -83.86 43.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.44 -179.8 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.879 0.371 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.65 140.69 56.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.739 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.402 HG12 ' O ' ' B' ' 15' ' ' LEU . 35.7 pt -142.16 133.29 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.577 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.65 134.66 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.712 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -116.11 85.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 88.0 tttt -75.46 135.34 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.277 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -105.29 153.34 21.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.873 HD22 HD13 ' A' ' 39' ' ' LEU . 88.6 mt -49.95 -42.0 47.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -64.08 -61.34 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.15 59.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.54 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 13' ' ' ILE . 24.1 ttmm -141.71 123.2 14.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.7 p -107.18 76.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.765 HD11 ' HD3' ' B' ' 11' ' ' LYS . 46.1 mm -69.81 123.47 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.686 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.0 m -91.09 134.93 34.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.686 HD22 ' C ' ' B' ' 14' ' ' THR . 3.6 mm? -133.48 145.27 50.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.442 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.64 126.5 44.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.743 HG11 HG22 ' B' ' 26' ' ' VAL . 28.1 m -152.63 140.53 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mp0 -65.76 144.66 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.364 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.593 ' HA ' HD12 ' B' ' 56' ' ' LEU . 80.5 p -57.67 -42.33 83.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.765 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -93.76 33.28 1.31 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.5 ' O ' HG22 ' B' ' 55' ' ' THR . 8.5 t0 -90.83 -123.74 0.07 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.377 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.545 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.4 t -166.45 141.86 4.53 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.9 mm -52.32 -41.53 34.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.38 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.09 -42.73 63.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.545 ' H ' HG23 ' B' ' 22' ' ' THR . 46.7 t30 -61.92 -41.66 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.743 HG22 HG11 ' B' ' 17' ' ' VAL . 60.3 t -57.56 -50.55 76.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 96.3 mttt -61.51 -36.45 80.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.02 -47.76 84.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.629 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -62.64 -45.06 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.95 -41.57 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.44 -48.31 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -38.37 86.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.407 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.72 -72.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.3 -39.4 62.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.75 34.35 9.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.184 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -91.81 132.94 31.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.411 0.148 . . . . 0.0 111.014 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 53.2 Cg_exo -54.87 133.81 59.75 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.277 1.984 . . . . 0.0 112.03 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.57 -39.7 80.61 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.85 -42.72 80.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' B' ' 37' ' ' PRO . 73.5 mt-30 -78.55 34.33 0.21 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.704 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.84 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.9 pt20 -162.59 136.99 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' B' ' 42' ' ' ARG . 1.0 OUTLIER -130.61 123.48 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.593 HD11 HD23 ' B' ' 67' ' ' LEU . 58.5 tp -79.12 129.0 34.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.65 HD13 HD21 ' A' ' 47' ' ' LEU . 96.1 mt -131.55 136.38 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.52 . . . . 0.0 111.326 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 22.4 t80 -157.79 151.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.195 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.484 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.66 -65.81 0.26 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.636 0.585 . . . . 0.0 110.724 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.04 23.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.329 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -173.34 164.07 4.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.215 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.868 ' HB2' HD13 ' A' ' 47' ' ' LEU . 41.5 tt0 -64.8 128.54 36.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 76.2 mt -76.72 135.57 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.259 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.32 138.56 58.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.63 50.47 1.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.28 50.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.54 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.1 mmt180 -147.76 137.82 22.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.937 0.399 . . . . 0.0 111.176 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 21' ' ' ASP . 80.8 p -63.38 151.4 41.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.856 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.731 HD11 HG23 ' B' ' 17' ' ' VAL . 86.9 mt -58.01 -44.85 87.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.004 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -57.71 -29.01 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.701 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -53.95 -53.4 53.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.123 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' B' ' 61' ' ' ILE . 32.8 m-85 -83.78 17.77 2.2 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.577 0.227 . . . . 0.0 110.859 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 51.42 37.11 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 0.0 110.305 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' B' ' 59' ' ' TYR . 74.8 mt -64.08 126.72 23.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.409 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -87.44 146.63 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.843 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -49.6 141.4 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.041 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 60.94 38.06 17.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.746 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.5 p -68.53 142.25 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -96.06 87.26 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.697 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 43' ' ' LEU . 9.0 mp -85.76 134.1 33.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.159 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.574 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.3 m170 -96.32 130.37 43.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' B' ' 41' ' ' GLN . 66.2 tp -110.46 120.63 43.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.661 HG22 HD11 ' B' ' 8' ' ' LEU . 58.8 t -96.74 118.62 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.43 136.42 34.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.9 0.381 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -74.68 -23.93 58.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.97 -35.53 34.17 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -59.6 -46.0 90.24 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 109.505 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.6 mptp? -63.47 -40.25 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.24 -37.31 77.23 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.076 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 11' ' ' SER . 49.2 m -60.48 -45.13 94.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.49 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.844 HG21 HD12 ' B' ' 8' ' ' LEU . 10.1 mm -59.34 -39.01 77.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.8 mt -59.48 -45.14 92.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.411 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 68.8 mtm -63.87 -49.21 73.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.698 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.52 -48.01 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.398 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.632 ' SD ' HD13 ' A' ' 43' ' ' ILE . 50.5 ttm -58.18 -45.01 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.642 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 17.6 m-85 -105.0 90.64 3.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 19' ' ' MET . 98.9 Cg_endo -78.36 44.58 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.57 2.18 . . . . 0.0 112.568 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.6 41.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.8 mt -149.06 133.15 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.4 p -62.55 138.73 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.7 -41.76 77.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.7 m -55.87 -46.96 78.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.8 ttmp? -59.63 -45.55 91.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -58.08 -42.35 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.22 -42.9 99.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 26' ' ' SER . 65.4 t -58.22 -52.11 62.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.0 -43.37 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.039 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.18 -47.47 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.554 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 9' ' ' HIS . 96.8 mt -69.82 -48.22 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 69.2 mm-40 -52.29 -46.3 65.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.685 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 73.5 m-80 -64.86 -78.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.36 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 15.9 p-10 166.96 38.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.296 0.373 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.75 50.47 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.75 128.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' CB ' HD21 ' B' ' 8' ' ' LEU . 61.2 mt -76.98 -42.92 36.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.698 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -54.2 -47.34 72.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.605 0.24 . . . . 0.0 111.196 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.49 -59.64 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.842 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.52 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.7 m -55.65 -63.75 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.289 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.642 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 66.0 mt -52.3 -42.41 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.796 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -52.3 -41.38 54.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.301 -0.952 . . . . 0.0 110.79 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.628 HD12 ' HE3' ' A' ' 48' ' ' LYS . 39.2 tp -67.36 -43.7 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.307 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -55.64 -45.21 77.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.233 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' B' ' 49' ' ' GLN . 48.4 mt -57.47 -47.14 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.121 0.486 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.628 ' HE3' HD12 ' A' ' 45' ' ' LEU . 60.5 pttt -88.11 42.21 1.05 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.82 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 4.3 tm-20 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.682 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 23.6 ptm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.47 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 18.1 pt20 -85.48 144.91 27.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.753 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -128.82 138.76 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.433 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.4 m-85 -83.36 145.88 28.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.579 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.443 HG21 HD11 ' B' ' 30' ' ' ILE . 59.5 t -140.61 92.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' B' ' 12' ' ' THR . 39.9 ttpt -93.59 133.86 36.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.634 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -74.57 148.54 40.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.548 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.844 HD12 HG21 ' A' ' 15' ' ' ILE . 25.9 tp -48.27 -34.96 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -66.46 -58.76 4.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.34 64.67 0.01 OUTLIER Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 60.2 tttm -154.15 109.86 3.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.066 0.433 . . . . 0.0 111.369 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.722 HG22 ' HB2' ' B' ' 6' ' ' LYS . 41.4 p -80.92 142.4 33.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.592 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' B' ' 15' ' ' LEU . 48.9 mt -134.44 119.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.681 ' C ' HD22 ' B' ' 15' ' ' LEU . 74.2 m -90.73 133.75 34.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.792 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.681 HD22 ' C ' ' B' ' 14' ' ' THR . 3.7 mm? -133.84 148.58 51.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -96.07 122.45 38.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.817 HG11 HG22 ' B' ' 26' ' ' VAL . 26.7 m -152.84 138.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.968 0.413 . . . . 0.0 111.714 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.88 147.04 53.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.987 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 42.7 t -60.91 -40.47 93.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -87.89 29.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -91.36 -134.73 0.13 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.08 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.662 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.1 t -161.84 146.43 12.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.719 0.295 . . . . 0.0 111.262 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.8 mm -50.63 -40.19 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.193 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.25 -43.53 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.666 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.662 ' H ' HG23 ' B' ' 22' ' ' THR . 2.0 m120 -66.07 -44.74 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.548 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.817 HG22 HG11 ' B' ' 17' ' ' VAL . 58.8 t -58.56 -53.57 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.646 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD13 ' B' ' 43' ' ' LEU . 13.1 mptt -63.8 -28.46 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.573 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 46.3 t -60.96 -48.66 80.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.97 -42.61 98.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.566 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.489 HG12 ' HG ' ' B' ' 15' ' ' LEU . 67.9 mt -61.96 -34.72 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.145 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 70.4 tp60 -61.71 -49.12 77.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.49 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.88 -36.09 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.98 -68.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.087 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -80.07 -41.71 25.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.3 37.0 11.48 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.976 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.01 132.11 28.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.43 0.157 . . . . 0.0 110.798 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -52.03 138.68 52.83 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.592 2.194 . . . . 0.0 112.271 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.65 -45.24 6.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.893 2.395 . . . . 0.0 112.813 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.5 -45.19 94.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.257 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.6 OUTLIER -63.94 -49.91 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.571 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -65.55 131.68 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 111.224 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -116.18 119.64 36.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.691 HD13 ' HE2' ' B' ' 27' ' ' LYS . 17.5 mt -77.51 125.35 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.579 HG21 ' SD ' ' A' ' 19' ' ' MET . 90.8 mt -136.32 134.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.482 0.658 . . . . 0.0 111.835 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD11 ' B' ' 50' ' ' LEU . 38.8 t80 -168.37 142.6 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.236 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.26 22.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 0.0 110.071 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.56 33.31 66.51 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.174 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -152.63 139.49 19.02 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.611 0.243 . . . . 0.0 110.868 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.687 ' HB2' HD13 ' A' ' 47' ' ' LEU . 52.8 tt0 -65.43 126.86 29.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.284 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' B' ' 45' ' ' PHE . 76.8 mt -83.84 130.95 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.911 0.386 . . . . 0.0 111.446 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -81.29 137.48 35.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 53.5 m-20 -59.85 -49.39 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.35 60.94 4.48 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.681 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 5.7 tpm_? -151.68 136.93 17.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.553 ' H ' ' HE ' ' B' ' 54' ' ' ARG . 74.9 p -74.51 149.45 40.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.239 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 61' ' ' ILE . 67.6 mt -57.36 -39.01 75.07 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.15 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -52.83 -36.95 59.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.29 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 60.3 t0 -56.08 -57.15 13.36 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.485 ' HB2' HG13 ' B' ' 61' ' ' ILE . 93.7 m-85 -78.07 13.13 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.237 -0.185 . . . . 0.0 111.469 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 49.0 34.71 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.9 mt -64.95 122.94 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.54 -157.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -93.61 141.54 28.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 50.7 mt-10 58.83 36.72 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -73.7 135.81 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.468 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.5 m -87.75 127.03 35.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.468 HD12 ' C ' ' B' ' 66' ' ' THR . 7.5 mp -116.94 131.82 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.37 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.583 ' CB ' ' HE2' ' A' ' 19' ' ' MET . 40.5 m170 -89.95 129.07 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -113.6 107.91 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.108 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.743 HG13 HD22 ' B' ' 8' ' ' LEU . 96.6 t -93.83 123.25 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.01 135.79 39.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.586 0.231 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.525 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.34 -24.14 66.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 95.4 mt-10 -51.1 -36.68 41.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.4 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -58.3 -47.44 83.67 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 39' ' ' LEU . 93.1 mttt -62.69 -38.92 92.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.051 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.7 tp -58.01 -39.41 78.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.239 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -60.8 -45.04 95.96 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.824 HG21 HD12 ' B' ' 8' ' ' LEU . 16.6 mm -56.88 -39.22 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.697 ' HB3' HD13 ' A' ' 28' ' ' LEU . 74.0 mt -61.56 -45.5 93.87 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.953 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.9 mtp -54.97 -52.55 62.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -71.01 -29.98 66.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.437 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.4 tpp -61.55 -44.14 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.579 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.5 m-85 -120.55 109.69 36.2 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.39 52.36 4.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.746 2.297 . . . . 0.0 112.951 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.45 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 ' HD3' ' A' ' 27' ' ' LYS . 61.6 mt -63.34 133.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.393 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -65.14 142.2 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.58 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -55.94 -41.62 74.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.084 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -60.15 -46.0 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.4 tttt -58.83 -46.79 86.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 16' ' ' LEU . 91.1 mt -57.21 -40.03 76.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.683 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -61.82 -44.28 97.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.365 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 99.8 t -58.74 -48.11 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.2 m-70 -60.97 -39.8 90.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' HIS . 54.9 tp -60.2 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.024 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.83 -45.07 93.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.5 mm-40 -62.21 -47.17 85.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.919 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 74.5 m-20 -79.27 38.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 m120 48.61 41.14 16.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.22 44.32 29.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.453 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -115.18 123.93 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 8' ' ' LEU . 83.5 mt -75.23 -40.74 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -58.68 -43.22 89.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.511 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -74.08 -53.19 10.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 111.345 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 31' ' ' HIS . 92.8 m -55.61 -55.96 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 64.8 mt -61.63 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.48 33.35 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.574 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -69.51 -44.25 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.218 0.532 . . . . 0.0 110.087 179.252 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 42' ' ' THR . 88.4 mt -62.51 -38.22 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.514 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' HB3' ' B' ' 49' ' ' GLN . 61.6 mt -50.69 -45.45 58.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.025 0.44 . . . . 0.0 110.299 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -83.24 43.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.642 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 87.8 tt0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.646 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.998 0.428 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.627 HE22 ' HB2' ' B' ' 16' ' ' GLU . 95.9 mm-40 -65.96 148.76 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 HG21 ' B' ' 17' ' ' VAL . 46.1 pt -136.59 134.83 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.725 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.3 m-85 -79.66 142.51 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.439 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 48.8 t -137.97 77.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.936 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.491 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 60.7 tttm -75.04 124.73 27.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -75.05 149.16 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.959 HD22 HG13 ' B' ' 70' ' ' VAL . 25.2 tp -50.85 -37.72 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -67.6 -56.19 10.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.4 -41.37 0.24 Allowed Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.97 126.88 19.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.305 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 62.8 m -100.74 138.53 37.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' B' ' 15' ' ' LEU . 56.3 mt -129.15 130.15 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.646 ' C ' HD22 ' B' ' 15' ' ' LEU . 48.7 m -106.93 134.96 49.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.351 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' B' ' 14' ' ' THR . 3.2 mm? -131.06 144.68 51.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 111.033 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.627 ' HB2' HE22 ' B' ' 2' ' ' GLN . 37.8 tt0 -91.56 128.57 37.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.047 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.529 HG21 HD13 ' B' ' 3' ' ' ILE . 29.7 m -152.48 134.31 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 111.373 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.5 tp10 -66.35 154.92 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.406 ' HA ' ' HE1' ' B' ' 1' ' ' MET . 78.8 p -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.447 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 80.3 p -90.31 35.1 0.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 32.4 t70 -78.22 -130.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.305 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.551 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.1 t -176.93 139.41 0.28 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.624 0.25 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.518 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.5 mm -53.58 -40.57 42.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' GLY . 8.1 t70 -53.54 -45.06 69.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.555 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 26.3 t-20 -60.98 -40.32 92.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.465 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.4 t -56.39 -49.81 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.663 ' HZ1' ' H ' ' B' ' 43' ' ' LEU . 66.3 mttm -61.47 -37.23 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -58.3 -50.15 74.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.2 mttm -61.23 -45.09 95.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.0 mt -58.04 -39.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.253 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.611 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 45.3 tt0 -61.99 -43.58 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.85 -43.75 97.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.7 mtpm? -69.88 -67.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.57 -42.67 74.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.25 40.7 6.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.044 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.501 HG21 ' CD1' ' B' ' 71' ' ' LEU . 74.4 mt -112.96 134.59 21.75 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.159 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 71.7 Cg_exo -51.17 139.7 42.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.427 2.084 . . . . 0.0 112.113 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.611 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 21.0 Cg_endo -60.75 -38.8 68.29 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.813 2.342 . . . . 0.0 112.696 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -57.25 -46.46 83.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.525 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -57.22 7.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.793 ' HB2' HD11 ' B' ' 69' ' ' LEU . 18.2 pt20 -62.16 142.64 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HZ1' ' B' ' 27' ' ' LYS . 54.5 ttp180 -142.91 125.69 16.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.663 ' H ' ' HZ1' ' B' ' 27' ' ' LYS . 90.8 mt -82.94 137.22 34.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 43' ' ' ILE . 87.7 mt -127.09 142.48 43.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -165.46 149.97 8.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.973 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.62 33.28 18.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.03 32.47 76.98 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.704 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -172.55 145.56 1.6 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 117.241 0.521 . . . . 0.0 111.218 179.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' HD13 ' A' ' 47' ' ' LEU . 19.4 pt20 -58.94 130.5 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.367 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' B' ' 45' ' ' PHE . 97.1 mt -76.37 135.28 39.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.41 134.38 48.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.17 144.08 55.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 85.71 -26.94 5.56 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.873 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.518 ' O ' HG12 ' B' ' 23' ' ' ILE . 7.6 tpt180 -65.16 132.74 49.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.694 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -69.34 149.38 48.49 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 112.143 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.426 HD23 HD12 ' B' ' 61' ' ' ILE . 41.2 mt -57.05 -43.74 82.31 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -53.33 -35.89 60.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.083 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -55.48 -52.09 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.632 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.597 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.0 m-85 -79.91 13.33 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.87 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 50.37 37.34 15.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 0.0 110.053 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.8 mt -62.81 125.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.71 148.59 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.442 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.716 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 86.4 tttt -50.3 141.51 11.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.716 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 56.5 mt-10 61.7 40.83 12.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -68.46 135.96 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.537 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 47.0 m -80.98 83.11 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.7 mt -84.86 131.28 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.035 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -100.54 128.06 46.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.079 0.466 . . . . 0.0 112.136 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 41' ' ' GLN . 61.4 tp -100.78 134.01 44.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.997 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.959 HG13 HD22 ' B' ' 8' ' ' LEU . 88.5 t -136.7 128.63 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.529 ' N ' HD22 ' B' ' 71' ' ' LEU . 2.8 mm? -81.96 140.22 34.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.275 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.725 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.614 HD22 ' H ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.614 ' H ' HD22 ' A' ' 6' ' ' ASN . 37.7 t70 -151.63 -39.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.328 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -150.67 39.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.372 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -76.9 -24.5 52.52 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.401 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.9 mp0 -51.2 -40.7 59.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG12 ' A' ' 15' ' ' ILE . 60.4 m -59.39 -46.29 89.1 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HB3' HD21 ' A' ' 39' ' ' LEU . 89.9 mttt -62.76 -40.99 99.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.709 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 16' ' ' LEU . 57.4 tp -59.7 -38.77 82.5 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.389 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -60.59 -44.77 95.86 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.001 HG21 HD12 ' B' ' 8' ' ' LEU . 19.4 mm -55.86 -40.95 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.237 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.1 mt -62.61 -44.27 96.71 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.1 mtt -54.71 -49.96 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.088 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.12 -31.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.838 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.2 tpp -62.56 -38.56 90.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.87 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 11.2 m-85 -127.52 98.46 28.74 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.35 50.25 3.3 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.607 2.205 . . . . 0.0 112.53 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -163.53 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.474 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 27' ' ' LYS . 65.2 mt -61.41 131.59 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -66.17 142.76 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.629 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -53.35 -35.25 60.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' A' ' 30' ' ' VAL . 65.7 m -57.2 -49.71 75.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 23' ' ' ILE . 24.6 ttmm -62.87 -44.34 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.776 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 95.0 mt -57.0 -44.38 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.1 tt0 -65.54 -43.31 90.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.24 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 26' ' ' SER . 92.6 t -60.67 -56.55 17.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.776 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.7 p80 -61.4 -42.91 99.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 47.7 tp -57.07 -47.7 80.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.393 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -61.39 -48.64 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.692 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.19 -45.5 91.46 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.74 33.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 47.41 41.8 13.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.737 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 55.71 38.94 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.681 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' HA3' ' B' ' 76' ' ' GLY . 64.6 t0 -93.21 131.02 38.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.734 0.302 . . . . 0.0 110.831 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.712 HD13 HD11 ' B' ' 8' ' ' LEU . 87.6 mt -95.95 -43.92 7.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.86 -51.01 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.4 -54.75 11.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 111.797 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.691 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.1 m -54.39 -56.04 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.329 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.6 mt -60.48 -41.16 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.852 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.05 44.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.005 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD12 ' HD3' ' A' ' 48' ' ' LYS . 62.5 tp -69.87 -38.52 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.362 . . . . 0.0 110.714 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.5 mt -61.84 -34.67 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.555 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 91.4 mt -56.76 -50.8 71.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.423 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.1 -35.21 79.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.562 -179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 57.4 mm-40 -48.64 -42.59 34.81 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.339 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.87 45.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.12 -51.54 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -176.67 134.98 0.22 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.64 -49.64 67.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.766 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 4.4 pm0 -152.61 142.57 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 pt -118.06 138.94 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.418 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -78.86 145.89 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.98 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.542 HG11 HD13 ' B' ' 30' ' ' ILE . 59.4 t -126.35 84.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.681 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HB2' HG22 ' B' ' 12' ' ' THR . 61.1 tttm -77.84 133.11 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.202 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.2 p -92.2 151.75 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.001 HD12 HG21 ' A' ' 15' ' ' ILE . 19.0 tp -52.56 -36.36 55.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.366 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -70.15 -61.48 1.76 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.748 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.8 63.03 0.01 OUTLIER Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.346 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -157.08 123.59 4.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.88 0.372 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.537 HG22 ' HB2' ' B' ' 6' ' ' LYS . 80.7 p -105.38 137.11 43.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.535 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.535 HG22 ' CD2' ' B' ' 15' ' ' LEU . 70.8 mt -122.0 129.05 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.613 ' C ' HD22 ' B' ' 15' ' ' LEU . 86.8 m -88.19 123.04 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.719 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.613 HD22 ' C ' ' B' ' 14' ' ' THR . 3.0 mm? -124.17 124.54 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.583 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.6 128.03 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.757 HG11 HG22 ' B' ' 26' ' ' VAL . 35.3 m -147.63 138.86 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.12 0.486 . . . . 0.0 111.749 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -70.45 148.38 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.039 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -55.45 -35.56 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -105.26 36.03 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -83.06 -126.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.544 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.539 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.4 t -169.49 140.55 2.27 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.726 0.298 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 54' ' ' ARG . 35.4 mm -56.66 -40.95 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 8.5 t70 -53.82 -42.37 68.36 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.539 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -58.15 -43.03 87.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.949 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.757 HG22 HG11 ' B' ' 17' ' ' VAL . 52.5 t -58.46 -45.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.747 ' HE3' HD23 ' B' ' 43' ' ' LEU . 64.0 mttp -59.16 -42.05 89.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -61.0 -48.27 82.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.475 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -46.33 89.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.093 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.542 HD13 HG11 ' B' ' 5' ' ' VAL . 76.1 mt -57.53 -40.89 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 109.804 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.401 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 7.3 tt0 -62.82 -39.14 93.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.556 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -62.64 -43.8 97.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.305 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.48 ' NZ ' HD13 ' B' ' 15' ' ' LEU . 98.7 mttt -69.66 -63.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -73.25 -45.83 53.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.9 30.2 9.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.617 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.444 HG21 ' CD2' ' B' ' 71' ' ' LEU . 49.2 mm -101.06 135.0 20.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 46.7 Cg_exo -55.95 136.31 74.14 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.295 1.997 . . . . 0.0 111.864 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 19.2 Cg_endo -58.26 -42.01 60.78 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.614 2.21 . . . . 0.0 112.292 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -60.14 -43.99 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.269 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 11.3 mm100 -64.68 -52.93 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.448 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.7 pt20 -68.87 135.78 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 111.338 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 39.1 mmt180 -110.34 109.53 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.747 HD23 ' HE3' ' B' ' 27' ' ' LYS . 2.9 mm? -81.88 82.69 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 74.8 mt -84.31 143.84 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.652 ' HE2' HG12 ' B' ' 61' ' ' ILE . 18.9 t80 -166.5 141.65 4.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.0 33.7 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.209 0.528 . . . . 0.0 110.275 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.57 71.76 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.598 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.6 ttpm? -173.19 138.94 0.76 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.073 0.436 . . . . 0.0 111.738 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.575 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 53.8 tt0 -59.28 129.56 42.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' B' ' 45' ' ' PHE . 61.6 mt -71.05 134.18 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.612 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.1 mt-10 -66.88 135.15 53.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -66.85 138.6 57.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 73.97 45.09 27.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.974 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.612 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 45.9 mmm-85 -131.2 130.78 43.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 110.977 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -67.88 144.27 55.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.629 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.452 HD23 HD12 ' B' ' 61' ' ' ILE . 87.4 mt -54.99 -32.5 61.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.45 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.3 p -52.17 -43.66 64.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.99 -53.81 54.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.579 0.228 . . . . 0.0 111.547 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -77.37 -9.5 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 111.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.53 39.02 25.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.773 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.652 HG12 ' HE2' ' B' ' 45' ' ' PHE . 74.1 mt -68.04 125.78 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -76.75 -154.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.024 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -102.75 144.21 31.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.677 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 60.28 36.76 20.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.799 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -68.38 135.23 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.607 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.4 m -87.8 88.77 7.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.461 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -85.87 128.67 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.289 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 43.7 m170 -86.98 144.2 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 111.86 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.515 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.5 tt -126.98 120.77 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.746 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.951 HG13 HD22 ' B' ' 8' ' ' LEU . 95.4 t -117.02 122.13 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' B' ' 36' ' ' ILE . 93.3 mt -73.62 133.06 43.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.522 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -74.3 -41.24 61.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.87 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.732 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 61.8 tp -57.32 141.41 47.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.263 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.732 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 29.2 mmm180 59.27 -141.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.121 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.45 -134.55 41.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.177 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.445 ' HA3' ' OD2' ' A' ' 38' ' ' ASP . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.411 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.76 -48.65 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -174.81 54.6 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.597 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.672 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.019 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 94.5 mt-10 -51.06 -40.56 58.6 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -59.98 -46.03 90.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.981 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.5 mttp -60.94 -38.86 87.3 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.637 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.36 -41.88 85.73 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.355 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -58.61 -43.72 89.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.126 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.759 HG21 HD23 ' B' ' 8' ' ' LEU . 19.4 mm -58.19 -39.23 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.011 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' HD13 ' A' ' 28' ' ' LEU . 80.1 mt -60.01 -50.59 73.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.218 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.402 ' SD ' ' HE2' ' A' ' 25' ' ' LYS . 78.5 mtm -56.36 -45.74 80.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -69.66 -33.37 72.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.854 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.6 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 62.2 tpp -64.21 -36.44 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.573 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.688 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.7 m-85 -128.98 108.06 18.16 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.12 54.86 5.41 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.654 2.236 . . . . 0.0 113.046 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.37 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.657 HG23 ' HD3' ' A' ' 27' ' ' LYS . 53.7 mt -61.86 133.63 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.516 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -69.72 147.25 50.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 17' ' ' MET . 40.7 ttmt -54.52 -39.74 67.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.6 p -58.65 -49.51 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.214 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.657 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.1 tttp -59.91 -47.36 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.5 mt -58.43 -41.12 84.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.511 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp60 -59.65 -44.06 93.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 97.5 t -60.0 -47.67 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.217 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -60.49 -43.99 96.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -61.98 -44.51 96.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.199 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.1 mm-40 -61.29 -49.14 78.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -83.72 27.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.045 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 64.57 -72.96 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.989 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -162.09 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -39.27 123.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.11 0.481 . . . . 0.0 111.751 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 12' ' ' LYS . 81.7 mt -85.22 -42.23 14.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.355 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 8.1 t70 -59.36 -41.64 89.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.139 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 41' ' ' LEU . 5.6 tt -68.21 -56.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.517 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' HD23 ' A' ' 46' ' ' LEU . 92.0 m -57.1 -64.38 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.688 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.1 mt -55.56 -38.29 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.801 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.09 -47.96 53.64 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.674 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.5 tp -67.12 -38.32 85.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 42' ' ' THR . 4.2 mm? -55.72 -45.12 77.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD13 ' HB3' ' B' ' 49' ' ' GLN . 52.3 mt -54.13 -50.68 66.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.252 0.549 . . . . 0.0 109.819 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.766 ' HG2' ' HB2' ' A' ' 51' ' ' ASP . 38.1 ttpt -80.83 43.0 0.66 Allowed 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.699 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.11 -46.84 87.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.05 39.74 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.766 ' HB2' ' HG2' ' A' ' 48' ' ' LYS . 36.0 t70 -65.68 -45.48 82.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.714 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 63.97 129.89 0.02 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -66.48 128.6 36.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' H ' ' NZ ' ' A' ' 53' ' ' LYS . 83.2 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.201 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.504 ' HE3' ' HA ' ' B' ' 63' ' ' LYS . 26.6 ttt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.863 0.364 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.01 149.86 25.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.7 pt -136.77 133.97 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.592 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -92.34 148.09 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.384 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.917 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.2 t -131.89 78.22 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.108 0.48 . . . . 0.0 110.531 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.599 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.9 tttt -65.28 124.41 22.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.373 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.54 152.68 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.969 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.936 HD11 HG13 ' B' ' 70' ' ' VAL . 95.3 mt -51.3 -35.28 37.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.703 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -62.92 -59.72 4.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.575 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.02 57.53 0.01 OUTLIER Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.262 -0.97 . . . . 0.0 113.159 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -161.76 123.14 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 111.128 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.599 HG22 ' HB2' ' B' ' 6' ' ' LYS . 79.0 p -88.76 132.45 34.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.345 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.917 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 74.3 mt -98.41 123.97 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -90.48 133.97 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' B' ' 33' ' ' LYS . 81.2 mt -149.39 141.34 23.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -95.32 127.38 41.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.268 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.43 HG21 HD13 ' B' ' 3' ' ' ILE . 27.5 m -153.77 142.95 14.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.675 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 4.6 mm-40 -66.42 146.44 54.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.795 ' HA ' HD12 ' B' ' 56' ' ' LEU . 79.2 p -62.01 -34.43 76.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -95.87 29.95 2.54 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -84.29 -123.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.63 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.0 t -171.72 141.35 1.42 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.0 111.036 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.664 HD12 HD13 ' B' ' 50' ' ' LEU . 50.8 mm -53.84 -40.66 45.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.28 -46.07 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.63 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -60.78 -41.83 96.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.417 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.464 ' O ' HG13 ' B' ' 30' ' ' ILE . 86.1 t -58.03 -49.74 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HE3' HD13 ' B' ' 43' ' ' LEU . 61.4 mttp -59.22 -39.67 83.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.567 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -59.5 -44.9 92.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.361 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.35 -40.83 96.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.43 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 26' ' ' VAL . 91.5 mt -62.46 -38.99 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.659 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.401 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 7.6 tt0 -65.42 -46.27 80.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.518 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.89 -45.92 73.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.864 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.526 ' HD3' HD21 ' B' ' 15' ' ' LEU . 65.1 tttp -67.88 -61.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.21 -37.54 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.791 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.84 47.84 5.16 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.135 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -135.66 133.72 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.498 0.19 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.2 Cg_endo -55.86 137.21 78.04 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.549 2.166 . . . . 0.0 112.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.4 Cg_endo -59.76 -33.3 96.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.735 2.29 . . . . 0.0 112.394 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -57.25 -46.15 83.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -70.62 -56.89 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.422 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.1 pt20 -67.14 141.58 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.243 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -138.76 120.78 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 8.5 mp -82.28 137.62 34.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.64 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.449 HD13 HD21 ' A' ' 47' ' ' LEU . 79.4 mt -130.27 142.61 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.143 0.496 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.9 t80 -161.48 140.06 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.569 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 32.91 22.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.91 26.67 74.49 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.556 -0.747 . . . . 0.0 113.66 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD22 ' A' ' 47' ' ' LEU . 32.5 mtmm -157.34 141.22 16.01 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.006 0.403 . . . . 0.0 111.576 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.582 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.2 pm0 -61.18 136.34 58.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.664 HD13 HD12 ' B' ' 23' ' ' ILE . 88.9 mt -64.22 129.76 41.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.561 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 49.8 mt-10 -74.28 132.32 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -65.85 137.67 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.45 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 72.41 46.89 31.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.564 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.571 ' O ' HG12 ' B' ' 23' ' ' ILE . 50.8 mmt-85 -138.49 133.54 32.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.884 0.373 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -63.31 148.72 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.4 mt -54.53 -37.05 64.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.2 t -54.81 -26.91 38.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.585 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.32 -57.26 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.419 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.416 ' OH ' ' HG3' ' B' ' 51' ' ' GLU . 13.2 m-85 -85.74 31.91 0.6 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 50.44 35.82 11.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.422 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.556 HG23 ' OG ' ' B' ' 65' ' ' SER . 72.1 mt -72.55 121.04 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -89.64 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' B' ' 1' ' ' MET . 24.1 pttm -179.93 140.74 0.14 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.867 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 61.02 41.27 14.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.556 ' OG ' HG23 ' B' ' 61' ' ' ILE . 60.0 m -74.25 139.37 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 71.3 m -85.72 88.9 7.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.204 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 75.6 mt -86.09 134.5 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.6 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 13.7 m-70 -94.72 133.01 38.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.702 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.5 tt -107.79 135.23 49.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.606 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.936 HG13 HD11 ' B' ' 8' ' ' LEU . 99.2 t -135.11 125.8 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.982 0.42 . . . . 0.0 111.385 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.07 141.85 35.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.541 ' HA ' ' OD2' ' A' ' 40' ' ' ASP . 71.4 ttt180 -65.56 165.23 12.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.644 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 63.0 tp -60.93 134.83 57.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.04 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.644 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 38.7 mmt180 64.31 133.34 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.19 -133.92 2.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.418 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.534 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 15.2 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.683 0.277 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' ASN . 55.1 m-20 75.78 -47.19 0.57 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.523 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 42.39 34.97 0.57 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.369 . . . . 0.0 111.287 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -73.38 -23.64 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 68.8 mm-40 -49.9 -39.09 38.62 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.503 ' OG ' ' HD2' ' A' ' 12' ' ' LYS . 91.8 p -61.11 -49.7 76.22 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.825 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.6 -37.55 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.561 178.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.598 ' HA ' HD12 ' A' ' 16' ' ' LEU . 54.4 tp -61.35 -40.22 93.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.969 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -59.84 -49.66 76.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.593 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.843 HG21 HD12 ' B' ' 8' ' ' LEU . 1.8 mp -58.81 -37.93 69.42 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 13' ' ' LEU . 86.7 mt -60.66 -44.7 96.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.787 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.5 mtp -57.98 -50.8 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.65 -29.34 65.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.756 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.533 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 63.5 tpp -63.97 -41.12 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.032 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 13.1 m-85 -123.1 97.48 43.31 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.54 51.11 3.18 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.055 2.503 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.74 -39.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.458 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.752 HG23 ' HD3' ' A' ' 27' ' ' LYS . 70.0 mt -62.01 132.31 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -64.2 140.77 58.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.513 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -50.85 -37.16 41.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -59.19 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.0 tttp -58.95 -43.31 91.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.999 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.787 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -57.79 -47.3 82.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.3 tt0 -64.02 -40.13 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.669 0.271 . . . . 0.0 111.197 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 26' ' ' SER . 85.7 t -61.77 -57.98 9.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.787 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 7.1 p80 -60.15 -41.84 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.109 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 40.8 tp -58.0 -47.05 84.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.29 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.1 mt -61.84 -46.22 90.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.451 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 4.8 mm-40 -65.31 -43.75 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.286 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.548 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.8 m120 -81.23 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 44.79 36.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 0.0 111.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 74.5 m-20 54.54 45.01 27.84 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.01 129.79 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.872 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 12' ' ' LYS . 75.7 mt -83.67 -54.0 5.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.886 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' B' ' 72' ' ' ARG . 62.8 t0 -57.5 -47.47 81.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.9 tt -65.11 -64.05 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.073 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 86.5 m -52.14 -63.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.402 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.64 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 69.9 mt -52.18 -36.72 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.98 59.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.086 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 41' ' ' LEU . 10.0 mp -66.9 -40.23 87.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.607 0.241 . . . . 0.0 110.538 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 46' ' ' LEU . 4.0 mm? -55.54 -42.62 74.86 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.793 HD22 ' HA ' ' B' ' 48' ' ' LYS . 34.5 mt -55.37 -39.0 69.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.017 0.437 . . . . 0.0 110.19 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.93 39.77 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.38 -53.57 9.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.297 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -90.07 41.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.663 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -176.15 133.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -171.09 132.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.966 0.413 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 3.6 mptp? -68.9 -44.6 72.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.909 -179.786 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.919 0.39 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HB2' ' OE2' ' B' ' 64' ' ' GLU . 13.4 mp0 -69.04 148.89 49.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.797 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.536 HD13 HG21 ' B' ' 17' ' ' VAL . 35.3 pt -135.45 132.18 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.256 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.58 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.6 m-85 -79.09 143.22 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 50.4 t -130.77 78.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.588 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 55.2 tttm -75.5 127.7 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' LYS . 81.7 p -86.89 144.82 26.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.046 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.927 HD13 HG12 ' B' ' 70' ' ' VAL . 29.1 tp -52.84 -36.92 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -66.46 -60.49 2.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.68 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.64 63.07 0.01 OUTLIER Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' O ' HG23 ' B' ' 7' ' ' THR . 87.2 tttt -164.68 116.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.96 0.38 . . . . 0.0 111.125 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.0 m -99.51 139.72 34.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.138 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.45 HG21 ' HG2' ' B' ' 33' ' ' LYS . 54.1 mt -133.61 126.67 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.624 ' O ' HD13 ' B' ' 15' ' ' LEU . 89.2 m -99.16 130.12 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.679 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' B' ' 14' ' ' THR . 2.4 mm? -133.83 139.71 46.43 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.505 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 87.8 tt0 -76.97 134.36 38.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.536 HG21 HD13 ' B' ' 3' ' ' ILE . 30.4 m -147.79 137.76 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.901 0.381 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.523 ' HG2' ' H ' ' B' ' 20' ' ' SER . 43.7 tt0 -66.69 146.7 54.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.745 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -55.02 -40.49 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.932 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.523 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 78.1 p -92.39 36.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.386 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.607 ' O ' HG22 ' B' ' 55' ' ' THR . 57.1 p-10 -80.52 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.765 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.716 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.3 t -175.94 143.7 0.58 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 50' ' ' LEU . 50.7 mm -50.63 -42.94 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.28 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.35 -42.99 78.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.716 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -59.36 -44.72 92.67 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 30' ' ' ILE . 51.4 t -56.57 -39.84 65.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.854 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.617 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 34.8 mmtp -59.55 -47.35 85.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.972 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t -55.82 -44.33 77.79 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.84 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HB3' ' B' ' 15' ' ' LEU . 28.3 mtpp -60.24 -43.93 95.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.8 mt -58.45 -40.46 78.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.34 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 9.2 mm100 -60.41 -49.55 77.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.36 0.6 . . . . 0.0 109.934 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.98 -29.91 67.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.183 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HG2' HG21 ' B' ' 13' ' ' ILE . 26.4 tptp -79.01 -40.1 32.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.542 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.4 -32.19 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.52 51.06 5.38 Favored Glycine 0 C--N 1.329 0.178 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 41' ' ' GLN . 66.2 mt -88.28 134.18 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.485 0.183 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 56.4 Cg_exo -51.44 138.89 47.05 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.316 2.011 . . . . 0.0 111.799 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.1 -47.52 19.86 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.473 2.116 . . . . 0.0 112.597 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.18 -40.45 94.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.4 tp60 -58.64 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.359 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.884 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.6 pt20 -74.74 146.28 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.445 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.627 ' HB3' HG23 ' B' ' 70' ' ' VAL . 14.2 tpp85 -144.98 119.96 10.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.57 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 50.4 mt -85.78 119.23 25.88 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 112.294 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.541 HD13 HD21 ' A' ' 47' ' ' LEU . 89.5 mt -115.42 143.38 25.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.485 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.633 ' HB3' HD21 ' B' ' 50' ' ' LEU . 30.7 t80 -165.45 145.77 6.91 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.43 -34.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 165.18 -15.05 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.793 ' HA ' HD22 ' A' ' 47' ' ' LEU . 63.1 pttt -159.28 170.71 21.28 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.066 0.46 . . . . 0.0 112.002 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 6.9 tt0 -52.25 135.8 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.181 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' B' ' 45' ' ' PHE . 75.2 mt -82.87 35.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.322 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 23' ' ' ILE . 55.6 mt-10 51.16 -167.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 111.31 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.28 42.35 2.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.233 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.31 54.14 0.05 OUTLIER Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.423 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.6 mmm180 -148.05 135.14 20.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.14 0.495 . . . . 0.0 111.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.607 HG22 ' O ' ' B' ' 21' ' ' ASP . 40.9 p -65.46 141.86 58.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.605 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.498 ' CD2' HD12 ' B' ' 61' ' ' ILE . 71.7 mt -49.72 -24.51 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -56.87 -46.73 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 55' ' ' THR . 2.9 p-10 -59.62 -50.57 73.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.288 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.39 -16.93 63.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.637 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.93 40.58 12.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.317 0.579 . . . . 0.0 109.766 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.503 HD11 HD13 ' B' ' 50' ' ' LEU . 70.3 mt -67.49 125.24 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.466 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -75.97 155.71 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.777 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -62.53 147.17 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.742 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' B' ' 2' ' ' GLN . 43.3 mm-40 62.57 35.1 14.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.984 0.421 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -77.81 139.74 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.257 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.58 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 87.1 m -91.25 96.83 10.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.613 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.455 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -87.5 134.31 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.533 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 44.7 m170 -90.64 140.17 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.918 0.39 . . . . 0.0 110.865 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' B' ' 41' ' ' GLN . 47.4 tp -121.44 83.29 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.927 HG12 HD13 ' B' ' 8' ' ' LEU . 19.3 m -71.47 133.66 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.38 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.51 134.56 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' OE1' ' B' ' 40' ' ' GLN . 50.5 ttt-85 -67.13 133.14 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.4 132.3 53.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.761 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -173.63 46.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.12 -44.7 96.81 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.591 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.592 0.234 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 t70 69.3 138.12 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.06 40.03 0.2 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.022 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -67.67 -24.61 65.44 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 11.4 pt-20 -51.45 -35.6 40.32 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.793 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 14' ' ' SER . 39.1 t -59.73 -44.6 93.7 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.775 ' HB3' HD21 ' A' ' 39' ' ' LEU . 41.8 mmtm -62.01 -43.58 98.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.82 -37.66 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.412 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -61.65 -43.89 98.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.451 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG21 ' CD2' ' B' ' 8' ' ' LEU . 22.2 mm -56.33 -44.5 79.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.623 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.78 ' HB3' HD22 ' A' ' 28' ' ' LEU . 95.3 mt -59.18 -45.44 91.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.352 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.1 mtp -56.17 -52.84 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.188 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.507 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 61.4 t0 -73.26 -30.22 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.81 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 54.6 tpp -59.88 -37.45 79.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -128.82 106.58 18.45 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.91 51.62 3.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.937 2.425 . . . . 0.0 112.69 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.93 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.7 mt -66.3 132.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.144 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -57.71 138.83 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.228 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -55.38 -30.57 60.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.4 t -54.15 -48.04 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.442 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.62 -51.03 64.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.688 0.28 . . . . 0.0 111.254 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 16' ' ' LEU . 87.6 mt -49.54 -42.14 43.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.101 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.44 -44.01 72.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 26' ' ' SER . 75.2 t -62.88 -53.64 44.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.475 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' HB3' HG23 ' A' ' 42' ' ' THR . 86.7 m-70 -58.5 -43.68 89.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.45 -50.63 73.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.268 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.82 -45.59 93.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 67.0 mm-40 -63.17 -48.78 76.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -77.64 37.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.34 48.65 18.8 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 111.115 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 42.06 41.3 1.94 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.038 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -95.18 128.26 41.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.54 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 12' ' ' LYS . 85.2 mt -77.89 -49.63 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.507 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.16 -44.38 92.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.73 -59.41 3.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.646 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.4 m -56.39 -63.34 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.329 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.0 mt -56.0 -38.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.31 -47.55 61.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.051 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.3 tm? -69.45 -38.95 78.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.538 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 42' ' ' THR . 4.3 mm? -55.3 -45.51 76.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.86 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD12 ' NH2' ' B' ' 42' ' ' ARG . 74.4 mt -56.6 -35.39 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.095 0.474 . . . . 0.0 110.295 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -67.08 -31.96 72.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.812 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -46.07 -50.89 14.68 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.72 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' OD1' ' HD3' ' B' ' 48' ' ' LYS . 18.1 p30 -69.62 -133.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.793 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 79.5 m-20 71.79 -24.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 50' ' ' ASN . 55.7 m-20 -81.98 135.48 35.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.475 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -169.57 -43.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 179.001 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.496 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.8 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.922 0.391 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.686 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -71.94 146.54 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.057 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.482 HD13 HG21 ' B' ' 17' ' ' VAL . 38.1 pt -130.74 136.6 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.9 m-85 -88.04 146.8 25.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.468 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 57.9 t -146.41 77.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.289 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' B' ' 12' ' ' THR . 85.0 tttt -71.73 135.31 46.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -82.11 142.05 32.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.545 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG13 ' B' ' 70' ' ' VAL . 78.5 mt -42.6 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.783 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p 48.37 66.35 1.09 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.971 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -154.46 -67.9 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.611 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' B' ' 11' ' ' LYS . 5.3 tmtm? -172.88 139.28 0.85 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.201 0.501 . . . . 0.0 111.542 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.93 HG22 ' HB2' ' B' ' 6' ' ' LYS . 67.2 p -81.44 124.21 29.24 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.127 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' B' ' 15' ' ' LEU . 35.5 mm -94.18 136.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.329 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.571 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -115.65 128.43 55.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.768 0.318 . . . . 0.0 111.847 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.571 HD22 ' C ' ' B' ' 14' ' ' THR . 2.9 mm? -130.81 140.87 50.31 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.07 123.46 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG22 ' B' ' 26' ' ' VAL . 22.0 m -150.37 134.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.136 0.493 . . . . 0.0 111.563 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.84 152.2 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -77.35 43.54 0.39 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.042 0.449 . . . . 0.0 110.44 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -168.58 49.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.499 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.595 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 8.1 t70 -139.66 141.97 37.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.871 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.474 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.0 t -69.39 145.94 52.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.67 -41.91 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.55 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -51.17 -44.07 61.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.216 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.595 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 50.1 t30 -55.58 -44.75 77.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.02 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.711 HG22 HG11 ' B' ' 17' ' ' VAL . 60.5 t -60.97 -40.09 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.363 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.555 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -58.46 -42.27 87.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.511 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -64.42 -45.23 88.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.932 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.559 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.4 mttm -59.44 -47.36 85.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.453 HD12 HD21 ' B' ' 43' ' ' LEU . 73.5 mt -63.59 -39.71 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.21 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.07 -40.95 78.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.406 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.37 -68.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.955 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.55 -39.38 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.858 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.55 13.6 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.12 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -94.97 133.74 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.417 0.151 . . . . 0.0 110.78 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.97 137.12 68.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.063 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.63 -42.3 66.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.651 2.234 . . . . 0.0 112.549 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.62 -42.87 81.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.594 HE21 HD23 ' B' ' 71' ' ' LEU . 40.8 tt0 -63.74 -48.89 75.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.682 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.613 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -64.2 136.39 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 111.274 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.688 ' NH2' HD12 ' A' ' 47' ' ' LEU . 72.0 mtp180 -134.86 81.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 5.8 mp -69.55 86.6 0.46 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.368 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 47' ' ' LEU . 68.2 mt -82.13 141.25 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.177 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.63 ' HE2' HG12 ' B' ' 61' ' ' ILE . 22.6 t80 -161.75 140.32 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.594 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.41 31.74 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.145 0.498 . . . . 0.0 110.214 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.05 16.45 76.71 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 113.894 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.575 ' HD3' ' OD1' ' A' ' 50' ' ' ASN . 36.9 ttpt -173.27 144.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.564 0.682 . . . . 0.0 112.238 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 64.4 mt-30 -54.97 133.11 48.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.537 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 45' ' ' PHE . 77.4 mt -68.39 130.1 41.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 50.9 mt-10 -60.73 137.9 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.409 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 15.4 m-20 -79.94 50.35 1.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 23' ' ' ILE . 73.0 mtt-85 -152.4 134.68 15.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -67.6 148.67 51.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.081 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.477 HD23 HD12 ' B' ' 61' ' ' ILE . 86.6 mt -50.7 -33.26 22.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.999 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -56.69 -39.28 73.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.543 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 33.5 t70 -53.43 -57.2 11.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.335 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.544 ' HB2' HG13 ' B' ' 61' ' ' ILE . 23.6 m-85 -75.99 -10.4 59.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.709 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 60.47 40.94 16.52 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.63 HG12 ' HE2' ' B' ' 45' ' ' PHE . 75.4 mt -64.07 125.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.397 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.3 146.47 30.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -51.44 141.27 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' B' ' 2' ' ' GLN . 56.0 mt-10 61.96 40.01 12.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.03 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.48 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 91.5 m -84.83 86.14 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.202 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 7.3 mp -85.9 139.51 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.538 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.507 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 40.9 m170 -95.49 141.63 28.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' B' ' 41' ' ' GLN . 65.5 tp -121.34 119.83 33.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.487 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.733 HG13 HD11 ' B' ' 8' ' ' LEU . 84.8 t -113.78 125.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.594 HD23 HE21 ' B' ' 40' ' ' GLN . 5.5 mp -98.45 130.22 45.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.89 131.01 41.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 tp -81.55 56.79 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' B' ' 74' ' ' ARG . 68.3 mtt-85 -143.52 137.46 28.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.32 -133.52 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.67 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.499 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.31 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -170.16 -30.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -166.5 43.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.307 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -61.45 -25.48 67.26 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 50.4 mt-10 -52.04 -37.25 52.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.317 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -58.52 -51.46 69.79 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.957 ' HB3' HD21 ' A' ' 39' ' ' LEU . 59.2 mttp -59.62 -37.62 79.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.318 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 17' ' ' MET . 60.0 tp -60.65 -39.89 89.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.836 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -61.17 -45.3 95.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.795 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.79 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.85 -42.76 82.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.588 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.691 ' HB3' HD13 ' A' ' 28' ' ' LEU . 82.1 mt -62.27 -45.29 93.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.587 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 63.3 mtm -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 0.0 111.223 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.1 -40.51 86.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.652 ' HE1' HD13 ' A' ' 43' ' ' ILE . 54.5 ttm -63.55 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.001 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 30.3 m-85 -124.48 71.36 57.13 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.068 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -52.23 -40.7 69.05 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.386 2.057 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.31 84.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.516 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' CD1' HD12 ' A' ' 46' ' ' LEU . 70.3 mt -70.94 133.34 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 111.4 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -66.55 140.42 57.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -58.48 -29.96 66.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.347 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 48.4 t -55.18 -48.61 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -62.86 -49.47 74.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 16' ' ' LEU . 86.5 mt -57.27 -38.17 73.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.819 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.94 -43.03 94.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.397 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' SER . 90.8 t -58.1 -47.68 86.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -62.68 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 34.7 tp -62.49 -45.34 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.24 -48.24 79.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -60.84 -49.53 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.23 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -83.95 28.86 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' N ' HD22 ' A' ' 36' ' ' ASN . 2.7 m120 65.41 -71.0 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.569 HD22 ' HE2' ' A' ' 12' ' ' LYS . 16.3 p-10 -177.09 32.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.184 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.77 134.15 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.96 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 12' ' ' LYS . 89.8 mt -100.46 -49.25 4.29 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -56.08 -50.08 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.6 tt -63.69 -57.06 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 110.933 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.623 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -54.41 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.652 HD13 ' HE1' ' A' ' 19' ' ' MET . 71.1 mt -53.81 -38.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.87 -46.59 60.36 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.488 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.9 tp -70.41 -37.32 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.8 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 42' ' ' THR . 4.6 mm? -59.03 -43.81 91.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.297 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.5 mt -52.86 -49.52 65.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -81.47 40.78 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -66.46 -51.83 52.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -66.39 -44.1 84.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.09 134.09 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.43 137.5 58.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -59.65 143.41 50.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.242 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.93 -179.684 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.576 ' HA ' ' NZ ' ' B' ' 63' ' ' LYS . 27.4 ttt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 3.6 pm0 -151.14 151.51 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.741 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.77 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -124.97 133.98 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.414 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 3.0 m-85 -78.33 99.92 6.54 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.528 ' CG2' HD23 ' B' ' 15' ' ' LEU . 52.5 t -78.01 82.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.752 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.645 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 62.8 tttp -80.04 132.71 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.754 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -96.88 147.54 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.928 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 15' ' ' ILE . 60.5 mt -49.02 -32.65 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.707 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.5 m -62.93 -53.96 45.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.33 -38.37 0.41 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.07 135.52 31.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.946 0.403 . . . . 0.0 112.013 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 59.7 p -118.81 87.42 2.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.636 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.04 116.88 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.187 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.444 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.7 m -84.14 128.53 34.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' B' ' 5' ' ' VAL . 4.5 mm? -117.98 142.47 47.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.234 0.54 . . . . 0.0 111.055 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 41.6 tt0 -84.75 124.56 31.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.795 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 1.029 HG21 HG22 ' B' ' 26' ' ' VAL . 2.9 p -164.1 132.8 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.412 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.475 ' O ' HD12 ' B' ' 56' ' ' LEU . 30.3 mt-10 -87.0 147.64 25.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.899 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.625 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 41.3 t -76.62 30.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.537 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 18' ' ' GLU . 79.8 p -124.98 -29.21 3.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -61.2 -113.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.695 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.0 t -170.12 146.32 2.98 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.272 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.44 -40.12 23.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -55.51 -42.24 74.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.695 ' H ' HG23 ' B' ' 22' ' ' THR . 20.0 t-20 -62.11 -41.41 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.588 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 1.029 HG22 HG21 ' B' ' 17' ' ' VAL . 39.5 t -56.7 -49.16 79.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.004 0.431 . . . . 0.0 110.225 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 98.9 mttt -62.43 -38.56 90.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -57.82 -42.67 84.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.816 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.653 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.3 mtpm? -62.58 -41.96 99.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.594 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.1 mt -58.41 -36.12 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.085 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 27' ' ' LYS . 2.6 mm100 -64.81 -50.18 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.451 0.644 . . . . 0.0 110.525 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -56.21 -42.86 77.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.785 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.72 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.66 -41.98 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.09 44.47 44.87 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.29 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.77 134.11 21.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.336 0.112 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 87.9 Cg_exo -47.23 133.87 19.39 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.446 2.097 . . . . 0.0 112.105 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.9 Cg_exo -56.83 -45.84 33.67 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 0.0 112.683 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.8 -43.41 98.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 53.6 tt0 -67.07 -60.75 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.404 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.45 138.46 58.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.05 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -146.13 106.95 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.1 mm? -75.66 116.23 16.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 96.9 mt -103.93 142.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.105 0.479 . . . . 0.0 111.726 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.731 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.4 t80 -160.34 144.49 14.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.814 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.71 35.2 24.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 110.541 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.08 28.51 71.56 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.809 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.598 ' HA ' HD22 ' A' ' 47' ' ' LEU . 28.7 ttpp -173.02 138.69 0.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.25 0.525 . . . . 0.0 111.889 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.5 tt0 -58.22 127.33 31.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.725 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' B' ' 45' ' ' PHE . 45.1 mt -72.39 126.3 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -67.16 126.39 29.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.55 132.51 47.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.8 -35.02 3.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.471 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -67.21 -140.91 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -150.24 147.02 27.18 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' B' ' 61' ' ' ILE . 83.6 mt -52.98 -44.34 67.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -60.87 -36.53 79.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -53.91 -53.9 46.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.612 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.528 ' CD2' HD22 ' B' ' 50' ' ' LEU . 6.2 m-85 -80.84 23.56 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 48.48 35.42 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.214 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.1 mt -68.7 124.43 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.964 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' B' ' 65' ' ' SER . 19.2 pt20 -87.87 147.99 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 59.6 tttp -53.76 142.03 24.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.733 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.6 mt-10 61.33 37.64 16.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 86.6 p -72.72 -151.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.656 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.545 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.7 m -161.46 126.64 3.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.047 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' B' ' 66' ' ' THR . 5.3 mp -122.86 134.91 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.645 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 47.7 m170 -89.14 104.1 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 111.465 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' B' ' 41' ' ' GLN . 4.9 tt -75.98 79.91 2.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.747 HG22 HD21 ' B' ' 8' ' ' LEU . 85.8 t -78.33 133.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.52 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.4 mp -90.48 138.44 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.67 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -65.7 -61.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.58 HD13 ' N ' ' B' ' 74' ' ' ARG . 0.9 OUTLIER -63.23 132.85 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.529 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.58 ' N ' HD13 ' B' ' 73' ' ' LEU . 74.1 mtp180 -51.15 -50.91 58.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.463 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.467 ' H ' ' CD1' ' B' ' 73' ' ' LEU . . . 70.39 136.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.618 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.595 -179.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.9 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.97 0.414 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -176.35 -44.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.24 45.17 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.12 -23.52 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.6 pm0 -50.36 -37.21 35.97 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.638 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 44.0 t -61.68 -47.11 86.81 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.763 ' HB3' HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -58.12 -37.18 74.1 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.092 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 52.2 tp -62.06 -38.86 90.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.632 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -59.69 -49.05 79.26 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.7 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' B' ' 8' ' ' LEU . 1.8 mp -57.72 -37.78 61.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.729 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.8 mt -60.93 -45.6 94.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.7 mtt -57.3 -50.4 73.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.23 -31.9 68.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE3' HD13 ' A' ' 43' ' ' ILE . 59.3 tpp -63.07 -38.35 90.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.884 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 8.5 m-85 -126.09 103.43 26.71 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.36 49.87 3.35 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.767 2.312 . . . . 0.0 112.847 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.36 -44.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.592 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD13 HD12 ' A' ' 46' ' ' LEU . 68.0 mt -59.41 133.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.313 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p -62.84 141.76 58.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.249 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.6 t -58.82 -47.43 84.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HD3' HG23 ' A' ' 23' ' ' ILE . 64.3 tttp -58.8 -46.99 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.3 mt -58.61 -41.07 85.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -60.89 -42.14 97.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 96.9 t -60.59 -50.39 80.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HB3' HG23 ' A' ' 42' ' ' THR . 90.4 m-70 -59.6 -43.16 93.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 9' ' ' HIS . 55.3 tp -59.27 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.481 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.08 -46.39 89.72 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 57.2 mm-40 -65.38 -46.8 78.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -78.78 44.21 0.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 46.72 32.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 32' ' ' LEU . 75.8 m-20 55.81 48.19 18.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 41' ' ' LEU . 55.4 p30 -113.47 137.78 51.05 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.725 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 12' ' ' LYS . 94.6 mt -83.62 -47.84 10.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -54.88 -50.23 69.24 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 59.2 tp -68.41 -54.54 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 111.682 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' HD23 ' A' ' 46' ' ' LEU . 86.0 m -55.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 63.2 mt -53.29 -40.76 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.73 -45.88 60.14 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.691 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -68.87 -39.11 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.135 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.03 -35.92 67.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.959 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 ' N ' ' B' ' 49' ' ' GLN . 77.2 mt -47.23 -50.07 21.83 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 50' ' ' ASN . 95.8 mttt -67.64 -26.87 66.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.424 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -75.34 31.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.375 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 48' ' ' LYS . 7.0 m120 -145.76 46.72 1.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.524 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -169.93 -45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 53' ' ' LYS . 50.4 t0 58.0 -133.03 1.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 52.7 mtmt -63.43 -45.49 90.67 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 120.67 0.271 . . . . 0.0 110.998 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.908 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.444 ' HG3' ' HA ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.943 0.401 . . . . 0.0 111.322 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 70.8 mt-30 -62.34 153.86 29.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.597 HD13 HG21 ' B' ' 17' ' ' VAL . 44.0 pt -142.86 138.52 27.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.79 141.13 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.364 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -124.62 79.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.3 tttt -76.92 129.45 36.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.417 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -77.02 -148.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.525 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.952 HD11 HG13 ' B' ' 70' ' ' VAL . 88.8 mt -108.38 48.5 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.628 0.251 . . . . 0.0 110.848 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 100.0 m -160.6 -52.27 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.436 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' B' ' 12' ' ' THR . . . 171.65 -38.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.575 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.4 139.35 15.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 110.766 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' HB2' ' B' ' 6' ' ' LYS . 81.8 p -135.55 125.45 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.567 HG21 ' HE3' ' B' ' 33' ' ' LYS . 67.4 mt -106.45 123.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.478 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.0 m -90.12 142.72 27.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' B' ' 33' ' ' LYS . 8.1 mt -151.37 133.58 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 23.2 pt-20 -77.29 132.06 38.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 3' ' ' ILE . 29.1 m -147.9 133.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.058 0.456 . . . . 0.0 111.454 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' B' ' 21' ' ' ASP . 85.3 tt0 -67.34 139.81 57.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.006 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.1 t -63.56 -39.37 94.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.515 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 62.9 m -91.02 25.0 2.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' B' ' 18' ' ' GLU . 8.7 t0 -84.43 -124.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.244 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.541 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.4 t -167.56 144.22 4.28 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.421 ' CG2' ' HA ' ' B' ' 52' ' ' ASP . 38.9 mm -54.0 -47.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.052 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' HA2' ' B' ' 53' ' ' GLY . 2.7 p30 -53.69 -42.44 67.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.488 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.541 ' H ' HG23 ' B' ' 22' ' ' THR . 46.1 t30 -59.81 -45.2 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.42 -49.28 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.603 ' HE2' HD13 ' B' ' 43' ' ' LEU . 98.0 mttt -60.89 -37.24 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -62.14 -44.9 95.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.583 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -59.68 -46.92 87.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.354 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.599 ' HA ' ' NZ ' ' B' ' 33' ' ' LYS . 68.3 mt -63.37 -36.48 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.404 ' OE1' ' HG3' ' B' ' 38' ' ' PRO . 40.1 tt0 -59.96 -47.01 87.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.97 -42.12 77.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.408 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.599 ' NZ ' ' HA ' ' B' ' 30' ' ' ILE . 6.0 ttpm? -65.84 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.911 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.83 -40.75 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.847 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 31.28 30.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.054 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -96.2 131.85 27.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.364 0.126 . . . . 0.0 110.802 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.9 Cg_endo -56.08 135.28 69.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.399 2.066 . . . . 0.0 111.927 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.8 Cg_exo -51.51 -37.88 63.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.794 2.329 . . . . 0.0 112.93 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.81 -48.43 81.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.532 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 72.4 mt-30 -69.12 -53.84 18.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.541 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.8 pt20 -63.56 143.39 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.664 HH21 HG11 ' B' ' 70' ' ' VAL . 56.6 ttp180 -150.3 125.45 10.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.603 HD13 ' HE2' ' B' ' 27' ' ' LYS . 6.3 mp -93.28 132.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.612 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.541 ' CD1' HD21 ' A' ' 47' ' ' LEU . 97.1 mt -131.05 140.05 49.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.806 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.854 ' HB3' HD21 ' B' ' 50' ' ' LEU . 33.9 t80 -159.89 152.86 21.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.763 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.97 31.51 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 110.3 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.16 34.61 81.41 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.634 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -172.36 143.29 1.41 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.144 0.472 . . . . 0.0 111.728 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.619 ' N ' HD22 ' A' ' 47' ' ' LEU . 37.7 tt0 -57.66 132.8 54.34 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.711 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.854 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.9 mt -83.92 127.17 33.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.67 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.432 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.421 ' HA ' ' CG2' ' B' ' 23' ' ' ILE . 2.7 p30 -71.35 147.76 47.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.795 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.535 ' HA2' ' OD2' ' B' ' 24' ' ' ASP . . . 96.97 -29.16 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 12.2 mmp_? -64.67 -145.08 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 111.198 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.1 p -150.49 146.1 26.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.227 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 61' ' ' ILE . 93.2 mt -53.36 -44.05 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.75 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -58.59 -36.21 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.342 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' B' ' 50' ' ' LEU . 2.5 m-85 -81.54 23.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 47.0 33.89 2.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 56' ' ' LEU . 75.1 mt -72.53 126.88 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.285 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.565 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.3 pm0 -85.35 -157.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.902 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 62.8 pttt -92.26 147.28 23.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.778 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 58.44 39.93 24.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.964 0.411 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.8 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.2 m -92.01 84.69 5.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.777 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.9 mp -86.28 140.71 29.84 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.759 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.686 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 51.3 m170 -100.73 127.74 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' B' ' 41' ' ' GLN . 55.6 tp -97.5 80.28 2.83 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.296 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.952 HG13 HD11 ' B' ' 8' ' ' LEU . 89.3 t -71.55 133.33 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.954 0.407 . . . . 0.0 111.501 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -98.75 138.1 36.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.602 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.3 tpt180 -65.27 -42.46 93.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.888 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.26 138.95 49.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -55.27 136.99 48.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.79 -45.32 96.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.307 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.414 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.56 0.219 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 p-10 -172.15 -40.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -176.2 40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.229 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -24.54 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.624 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 54.6 mt-10 -51.51 -43.43 62.26 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.2 p -58.56 -46.82 86.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.465 0.65 . . . . 0.0 109.468 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 39' ' ' LEU . 30.6 mmtp -61.51 -37.95 85.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.21 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 16' ' ' LEU . 65.9 tp -60.1 -39.8 87.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.641 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -60.83 -46.67 89.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.564 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 8' ' ' LEU . 7.9 mm -57.77 -40.15 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 32' ' ' LEU . 90.5 mt -61.12 -42.3 98.29 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 83.2 mtp -60.15 -49.6 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.8 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.558 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 60.2 t0 -73.78 -32.36 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.501 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 56.7 tpp -66.16 -38.3 87.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.724 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 9.5 m-85 -129.52 67.99 79.74 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 10.4 Cg_endo -53.43 -38.48 82.95 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.474 2.116 . . . . 0.0 111.691 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.1 99.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.199 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' HD3' ' A' ' 27' ' ' LYS . 63.0 mt -68.29 135.72 27.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.309 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -62.11 143.06 57.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.849 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.71 -40.93 76.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 30' ' ' VAL . 60.4 m -54.8 -48.66 72.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.8 tttt -59.38 -38.1 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.701 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 87.0 mt -62.88 -43.47 98.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.503 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.553 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -65.39 -42.56 92.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 0.0 111.009 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 26' ' ' SER . 66.1 t -59.92 -59.22 4.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.728 ' ND1' HG21 ' A' ' 42' ' ' THR . 3.9 p80 -58.77 -41.68 87.19 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.992 0.425 . . . . 0.0 110.541 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 16' ' ' LEU . 56.1 tp -55.91 -43.43 77.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 90.3 mt -61.68 -41.61 97.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.324 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 46.9 mt-10 -56.56 -54.87 40.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.071 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -83.94 36.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 64.22 -74.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.025 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 p30 179.32 28.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.072 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.83 125.91 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.655 ' HB2' HD21 ' B' ' 8' ' ' LEU . 95.7 mt -79.17 -43.79 23.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.02 -49.38 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.65 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.15 -64.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 111.558 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.728 HG21 ' ND1' ' A' ' 31' ' ' HIS . 28.7 m -53.26 -58.56 6.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.074 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.549 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 58.6 mt -57.34 -42.9 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.087 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.77 -45.72 54.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.788 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.5 tm? -74.47 -32.63 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.235 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 42' ' ' THR . 0.7 OUTLIER -56.23 -44.47 79.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.478 -179.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 49' ' ' GLN . 63.7 mt -48.74 -51.19 30.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -76.03 -31.33 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -49.72 -43.72 47.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.525 ' HB3' ' HD3' ' B' ' 48' ' ' LYS . 24.1 t-20 -53.26 -46.67 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.432 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.09 128.83 36.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -175.22 128.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -177.97 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.852 179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.526 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 2.4 pt20 -67.65 143.16 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.452 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.423 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.9 pt -138.86 138.12 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.609 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -80.1 138.35 36.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.988 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.536 HG21 HD12 ' B' ' 15' ' ' LEU . 43.4 t -132.68 77.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.056 0.455 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 39.6 ttpt -80.48 133.68 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -70.23 -150.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -105.78 41.86 1.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.01 0.433 . . . . 0.0 110.338 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -150.15 -53.37 0.15 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.78 -40.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.716 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 63.2 tttp -52.66 131.35 34.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.635 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 67.9 m -121.12 136.05 55.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -117.13 121.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.451 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 87.8 m -88.29 142.94 27.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD12 HG21 ' B' ' 5' ' ' VAL . 7.9 mt -147.92 136.23 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 111.102 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.17 130.24 35.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.758 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -151.6 142.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 0.3 OUTLIER -66.32 147.04 53.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.37 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -63.44 -45.67 89.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.328 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -87.05 25.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.591 ' O ' HG22 ' B' ' 55' ' ' THR . 39.1 t70 -77.13 -126.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.6 t -174.73 140.48 0.58 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.678 0.275 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.559 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -52.24 -38.7 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' N ' ' B' ' 53' ' ' GLY . 65.1 t0 -56.04 -47.81 77.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.463 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.665 ' H ' HG23 ' B' ' 22' ' ' THR . 49.9 t30 -62.97 -40.47 97.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.439 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 30' ' ' ILE . 50.5 t -57.14 -48.09 82.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.597 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.61 -37.51 86.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -58.65 -44.82 90.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.413 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.624 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 97.6 mttt -64.4 -44.1 92.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.523 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.7 mt -60.97 -37.98 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.597 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.477 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 41.4 tt0 -64.53 -46.83 81.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.251 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.34 -43.48 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.602 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -70.86 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.83 -42.47 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.79 45.62 5.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.922 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 71' ' ' LEU . 68.8 mt -124.53 133.95 25.17 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.456 0.169 . . . . 0.0 110.79 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 50.6 Cg_exo -54.31 134.61 61.79 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.438 2.092 . . . . 0.0 112.343 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.477 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 37.2 Cg_endo -65.41 -40.54 18.36 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.659 2.24 . . . . 0.0 112.528 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -57.34 -39.58 76.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 8.2 tt0 -74.39 -52.96 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.387 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' B' ' 71' ' ' LEU . 3.1 pt20 -69.67 132.52 46.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.949 0.404 . . . . 0.0 111.427 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' B' ' 42' ' ' ARG . 8.3 mmp_? -111.52 112.71 24.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.926 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 67' ' ' LEU . 52.3 tp -83.84 82.6 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.417 HG12 HD21 ' A' ' 47' ' ' LEU . 83.1 mt -82.09 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 112.029 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.882 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.7 t80 -161.93 138.21 7.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.35 34.9 23.02 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 58.64 32.14 68.72 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.962 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 50' ' ' ASN . 26.5 mmmt -154.5 138.07 16.0 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.676 0.274 . . . . 0.0 110.857 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -69.13 124.52 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.258 178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -69.23 125.21 25.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.599 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -82.07 140.36 33.92 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.437 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 1.5 m-20 -66.62 141.76 57.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.515 ' N ' ' HB2' ' B' ' 24' ' ' ASP . . . 101.46 -37.25 3.71 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.954 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.559 ' O ' HG12 ' B' ' 23' ' ' ILE . 47.8 mmt-85 -70.21 130.13 41.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 111.535 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.591 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.3 p -71.26 154.84 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.725 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.421 HD23 HD12 ' B' ' 61' ' ' ILE . 88.9 mt -52.1 -38.67 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -54.88 -36.8 65.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.837 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -54.57 -56.01 23.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.538 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' B' ' 61' ' ' ILE . 30.5 m-85 -79.9 16.92 1.04 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.695 0.283 . . . . 0.0 110.935 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.7 t30 48.89 36.51 8.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.524 HG12 ' CE2' ' B' ' 45' ' ' PHE . 62.0 mt -71.09 123.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -80.95 -141.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -111.37 143.74 41.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.631 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.526 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 49.7 mt-10 59.23 33.43 22.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.699 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -73.15 139.78 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.976 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.609 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 82.7 m -80.21 128.3 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' B' ' 43' ' ' LEU . 98.9 mt -120.59 128.71 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.158 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.579 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 45.2 m170 -93.02 135.6 34.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 111.949 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.606 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.3 tt -115.32 131.37 56.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.683 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.879 HG13 HD22 ' B' ' 8' ' ' LEU . 58.5 t -137.99 118.86 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.237 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' B' ' 41' ' ' GLN . 94.3 mt -76.2 138.78 40.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 77.0 mtp180 -66.65 -50.4 63.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.644 HD23 ' N ' ' B' ' 74' ' ' ARG . 3.4 tt -71.92 132.04 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.19 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.644 ' N ' HD23 ' B' ' 73' ' ' LEU . 3.5 mmm180 -60.26 132.05 52.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.82 45.64 96.09 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.52 ' HA2' HD13 ' B' ' 71' ' ' LEU . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.277 -1.29 . . . . 0.0 112.639 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.481 HD22 ' N ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -54.94 -46.24 74.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -172.54 45.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -65.36 -24.89 67.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.195 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 54.3 mm-40 -51.43 -38.27 52.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.607 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -58.39 -48.02 81.99 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.79 ' HB3' HD21 ' A' ' 39' ' ' LEU . 58.8 mttp -61.69 -39.62 92.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.439 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' A' ' 17' ' ' MET . 50.8 tp -58.49 -40.25 82.26 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.488 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.52 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 54.0 m -59.9 -45.2 93.3 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.294 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.896 HG21 HD12 ' B' ' 8' ' ' LEU . 28.0 mm -52.71 -46.07 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.5 mt -61.79 -38.25 87.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.818 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 59.7 mtt -53.25 -51.76 61.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.279 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 38.9 t70 -82.26 -26.58 33.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.964 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 48.6 tpp -63.01 -36.1 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 33.8 m-85 -137.99 71.79 48.19 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 53.2 Cg_exo -52.34 -37.49 71.61 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.689 2.259 . . . . 0.0 112.497 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.08 32.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.684 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 20' ' ' PHE . 70.8 mt -148.67 133.79 10.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.722 0.296 . . . . 0.0 110.829 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -60.93 139.56 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -59.48 -38.14 80.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.9 p -54.18 -46.26 72.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.96 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.66 -47.09 87.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 16' ' ' LEU . 87.8 mt -58.01 -38.36 76.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.589 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 tt0 -62.91 -43.15 99.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.329 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' SER . 66.2 t -59.15 -51.75 68.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -59.92 -41.85 92.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -47.11 86.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 97.7 mt -60.88 -46.38 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.743 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.5 -45.83 91.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.001 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' OD1' HD22 ' A' ' 41' ' ' LEU . 75.8 m-20 -79.66 35.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.45 39.17 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.755 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m120 56.66 41.63 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -104.76 129.85 52.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 12' ' ' LYS . 71.6 mt -79.01 -44.84 21.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.699 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -55.1 -48.55 73.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.659 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 HD13 ' A' ' 45' ' ' LEU . 4.0 tt -69.82 -59.03 3.19 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 111.027 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.657 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.8 m -51.33 -60.48 3.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.4 mt -59.43 -36.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.08 -51.65 34.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD13 HD23 ' A' ' 41' ' ' LEU . 7.4 mp -73.3 -39.6 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.641 0.258 . . . . 0.0 111.05 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 42' ' ' THR . 3.8 mm? -51.56 -43.19 62.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.63 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.0 mt -60.97 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.701 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -87.2 34.55 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.364 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.99 -50.0 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.391 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -80.77 48.84 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.281 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -61.31 134.0 56.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.08 135.23 57.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -63.83 133.23 53.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.802 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 24.2 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.919 0.39 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.429 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 5.3 mp0 -114.41 138.11 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.711 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 15' ' ' LEU . 46.8 pt -129.91 137.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.0 m-85 -77.22 137.94 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.588 ' CG2' HD23 ' B' ' 15' ' ' LEU . 42.5 t -137.1 78.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.446 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 37.7 ttpt -79.97 137.22 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.732 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -80.65 163.57 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.918 HD22 HG13 ' B' ' 70' ' ' VAL . 20.6 tp -77.26 52.9 0.96 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -158.01 -55.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.58 58.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.074 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -161.57 115.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.8 m -93.12 134.97 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.475 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' B' ' 15' ' ' LEU . 65.8 mt -120.77 124.36 72.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.657 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 36.3 m -86.85 115.8 24.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.862 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.588 HD23 ' CG2' ' B' ' 5' ' ' VAL . 3.7 mm? -113.65 131.59 56.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.863 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -81.51 137.37 35.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 1' ' ' MET . 7.8 p -177.23 131.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' B' ' 21' ' ' ASP . 7.3 pm0 -68.53 149.02 49.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.737 ' HA ' HD12 ' B' ' 56' ' ' LEU . 50.8 m -58.75 -42.47 88.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.4 t -80.26 35.61 0.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.474 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.64 ' HB2' ' HG2' ' B' ' 18' ' ' GLU . 9.9 t0 -99.65 -122.15 0.15 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 6.3 t -172.55 140.74 1.07 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.717 0.294 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.692 HD12 HD13 ' B' ' 50' ' ' LEU . 45.6 mm -51.41 -38.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.401 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -51.2 -42.27 60.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.418 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.45 -41.61 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.329 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.481 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.5 t -56.88 -48.11 81.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.295 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.2 mptm? -61.94 -36.58 81.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -61.83 -50.02 73.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.99 -45.92 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.2 mt -60.0 -39.56 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.673 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.665 HE21 ' HD3' ' B' ' 38' ' ' PRO . 50.8 tt0 -64.21 -45.24 89.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.721 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.77 -45.2 68.55 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.631 ' NZ ' ' HB2' ' B' ' 33' ' ' LYS . 4.7 ttmp? -64.88 -61.62 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -72.01 -39.0 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.748 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.83 29.4 47.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.116 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.9 mt -87.93 133.93 36.36 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.04 134.38 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.297 1.998 . . . . 0.0 112.083 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.665 ' HD3' HE21 ' B' ' 31' ' ' GLN . 14.4 Cg_endo -57.13 -45.41 35.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.386 2.058 . . . . 0.0 111.707 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -83.29 40.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.558 HE21 HD11 ' B' ' 71' ' ' LEU . 34.5 tt0 -162.19 35.23 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 110.693 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.37 146.35 2.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.664 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -144.0 122.57 12.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.368 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 3.4 mm? -83.71 123.65 30.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.333 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.535 HD11 HD11 ' A' ' 47' ' ' LEU . 60.3 mt -111.91 144.25 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.683 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.2 t80 -155.27 141.91 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.689 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 69.81 -64.48 0.35 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 110.55 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.65 24.08 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.018 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 47' ' ' LEU . 39.1 ttpt -173.42 156.04 2.96 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 16.9 pt20 -59.57 138.14 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.692 HD13 HD12 ' B' ' 23' ' ' ILE . 96.2 mt -70.03 133.09 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 49.3 mt-10 -68.52 133.83 49.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.03 50.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.484 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.85 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.425 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.604 ' O ' HG12 ' B' ' 23' ' ' ILE . 39.4 mmt180 -150.91 135.08 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.501 HG22 ' O ' ' B' ' 21' ' ' ASP . 74.5 p -63.78 156.03 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.3 mt -53.41 -38.8 63.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 85.8 p -56.62 -28.35 60.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.491 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -51.3 -56.56 12.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -82.46 30.96 0.4 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 0.0 111.065 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 49.88 34.67 8.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.495 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.441 HG23 ' OG ' ' B' ' 65' ' ' SER . 68.7 mt -73.54 118.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.36 -67.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 111.195 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 0.2 OUTLIER 179.2 148.64 0.24 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.595 ' OE1' ' HG3' ' B' ' 63' ' ' LYS . 3.9 mp0 58.67 35.94 24.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.441 ' OG ' HG23 ' B' ' 61' ' ' ILE . 53.6 m -77.9 137.15 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.892 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 62.4 m -79.98 129.99 34.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.94 0.4 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 50' ' ' LEU . 85.5 mt -122.27 126.59 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.777 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -92.55 131.0 38.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.881 0.372 . . . . 0.0 111.922 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.496 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -109.03 106.7 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.205 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.918 HG13 HD22 ' B' ' 8' ' ' LEU . 78.2 t -92.63 122.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.558 HD11 HE21 ' B' ' 40' ' ' GLN . 57.1 tp -81.75 130.58 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.887 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.499 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -74.58 124.89 27.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.149 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' B' ' 72' ' ' ARG . 94.5 mt -82.86 126.94 33.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -73.56 141.99 46.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 44.5 0.17 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.518 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 49.6 t30 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.467 0.175 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 6' ' ' ASN . 58.2 m-20 75.57 -42.32 0.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.503 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t70 58.85 43.21 18.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.744 0.307 . . . . 0.0 110.956 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -22.89 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.637 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.3 -39.39 45.43 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.332 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -63.64 -43.49 96.63 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.7 mmtt -62.4 -36.45 82.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.151 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.4 tp -60.74 -40.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.001 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m -59.4 -42.93 92.9 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.774 HG21 HD22 ' B' ' 8' ' ' LEU . 37.0 mm -53.64 -46.51 61.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 28' ' ' LEU . 94.2 mt -60.67 -37.21 80.84 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.56 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 84.7 mtp -55.9 -51.72 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.508 ' O ' ' HD3' ' A' ' 21' ' ' PRO . 37.8 t70 -81.8 -26.13 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 46.0 tpp -65.45 -37.96 88.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 6.3 m-85 -136.88 69.53 58.09 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.018 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 18' ' ' ASP . 8.0 Cg_endo -50.5 -40.79 54.08 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.734 2.289 . . . . 0.0 112.28 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.68 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.475 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.712 HG23 ' HD3' ' A' ' 27' ' ' LYS . 68.7 mt -66.38 139.45 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.589 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -63.47 145.22 56.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.273 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -59.01 -47.08 86.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 30' ' ' VAL . 56.6 m -56.88 -43.78 81.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HD3' HG23 ' A' ' 23' ' ' ILE . 60.7 tttm -58.94 -44.56 91.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.542 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 16' ' ' LEU . 93.6 mt -59.81 -42.82 94.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.877 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 53.7 tt0 -61.01 -42.46 98.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.701 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 98.2 t -59.29 -52.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.2 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -57.22 -48.09 79.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 37' ' ' ASN . 60.7 tp -54.39 -43.7 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 37' ' ' ASN . 96.0 mt -67.25 -34.55 77.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.798 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 49.3 mt-10 -55.81 -56.74 16.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 2.9 m120 -61.92 -71.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.342 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 16.7 t-20 167.76 42.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 72.6 m-20 57.45 40.79 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.83 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -121.83 133.28 54.89 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 HD11 ' A' ' 43' ' ' ILE . 92.6 mt -72.51 -40.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.777 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.6 -50.62 67.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.5 mp -74.17 -55.08 6.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 76.8 m -55.01 -54.87 37.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.455 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.704 HD11 HD22 ' A' ' 39' ' ' LEU . 58.7 mt -68.29 -38.71 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.73 -50.74 30.67 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.192 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 41' ' ' LEU . 7.8 mp -77.72 -30.98 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.712 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -57.34 -45.26 84.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.702 -179.187 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' HA ' ' B' ' 48' ' ' LYS . 69.1 mt -54.97 -47.06 75.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.907 0.384 . . . . 0.0 111.133 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.65 -42.19 87.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -63.93 -45.02 91.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.26 -30.85 69.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -49.02 -40.69 31.95 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -168.46 130.08 1.33 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.52 -46.11 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.525 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' B' ' 16' ' ' GLU . 11.0 mm100 -114.62 155.6 26.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.416 HD13 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -141.67 126.14 16.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 1.5 m-85 -98.06 95.47 7.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.828 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' B' ' 69' ' ' LEU . 25.5 t -78.75 77.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.652 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 1.7 tmtp? -79.03 123.8 27.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.91 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 68.8 p -73.1 151.38 41.65 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.723 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 15' ' ' ILE . 86.1 mt -48.04 87.59 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.495 ' OG1' HD11 ' A' ' 15' ' ' ILE . 33.1 m 58.97 69.65 0.71 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.33 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 -113.02 0.29 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.349 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.561 ' HE3' HG12 ' B' ' 13' ' ' ILE . 55.3 tttp -90.14 130.97 36.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 57.6 m -99.94 107.38 19.33 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.561 HG12 ' HE3' ' B' ' 11' ' ' LYS . 59.5 mt -90.11 98.65 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.48 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 95.5 m -79.12 142.18 36.64 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' C ' ' B' ' 14' ' ' THR . 11.4 mt -149.95 141.0 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 0.0 111.452 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' B' ' 2' ' ' GLN . 38.9 tt0 -90.14 133.69 34.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.8 m -152.71 134.46 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.007 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.63 146.51 54.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -77.68 42.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.71 38.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.016 0.436 . . . . 0.0 110.749 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.52 ' O ' HG22 ' B' ' 55' ' ' THR . 64.4 m-20 -108.03 -120.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.678 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.652 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.7 t -166.57 143.74 4.98 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.716 0.293 . . . . 0.0 110.654 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 50' ' ' LEU . 45.6 mm -52.31 -43.25 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.94 -40.48 66.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.652 ' H ' HG23 ' B' ' 22' ' ' THR . 23.3 t-20 -60.28 -41.61 93.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.76 -48.97 86.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' HD2' ' OD2' ' B' ' 52' ' ' ASP . 99.3 mttt -60.89 -42.47 98.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.3 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.8 p -59.39 -43.26 92.99 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 28.9 mtpp -60.12 -43.31 95.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.152 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.469 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . 69.5 mt -62.18 -39.47 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 52.1 tt0 -62.29 -49.29 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.69 -45.72 85.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.79 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.28 -62.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 30' ' ' ILE . 7.7 mp0 -71.24 -42.18 69.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.06 49.36 3.8 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.174 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -133.75 134.46 23.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.554 0.216 . . . . 0.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.4 Cg_exo -54.65 138.06 74.85 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.622 2.214 . . . . 0.0 112.625 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.55 -40.22 68.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.85 2.367 . . . . 0.0 112.717 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.92 -46.85 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.299 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -64.34 -50.57 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.641 ' HB2' HD11 ' B' ' 69' ' ' LEU . 19.3 pt20 -70.66 140.34 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -130.45 124.47 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 92.3 mt -96.78 83.07 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.779 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.642 HD13 HD21 ' A' ' 47' ' ' LEU . 63.8 mt -81.74 142.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.541 ' HE2' HG12 ' B' ' 61' ' ' ILE . 20.1 t80 -162.75 142.84 9.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.89 -30.64 0.21 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.713 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 163.16 -14.15 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.311 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.919 ' HA ' HD22 ' A' ' 47' ' ' LEU . 23.6 pttm -164.26 163.21 22.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.894 0.378 . . . . 0.0 111.377 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 3.4 tm0? -52.6 135.48 34.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.466 ' O ' HG13 ' B' ' 23' ' ' ILE . 87.1 mt -75.45 44.14 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 51.67 -166.59 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' HD2' ' B' ' 27' ' ' LYS . 9.7 t0 -145.4 52.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.067 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.25 48.8 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -141.11 -144.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.464 0.173 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.52 HG22 ' O ' ' B' ' 21' ' ' ASP . 73.0 p -150.49 147.21 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 111.109 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 61' ' ' ILE . 98.2 mt -53.7 -41.01 66.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.9 m -62.91 -34.59 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.348 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.33 -50.57 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.268 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.554 ' HB2' HG13 ' B' ' 61' ' ' ILE . 18.0 m-85 -79.35 19.8 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 46.5 37.34 4.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.554 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.4 mt -67.71 128.91 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.427 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 46.7 tt0 -66.86 -114.9 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.157 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 19.4 ptpt -154.55 153.91 32.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.529 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 11.7 pt-20 46.83 32.9 1.94 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.167 0.508 . . . . 0.0 110.703 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -75.71 137.26 40.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.828 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.559 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.9 m -83.2 100.86 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.61 135.82 33.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 43.0 m170 -86.32 134.29 33.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.009 0.433 . . . . 0.0 111.968 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' B' ' 41' ' ' GLN . 59.3 tp -109.16 133.85 52.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.078 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.58 HG13 HD11 ' B' ' 8' ' ' LEU . 47.8 t -135.37 124.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.931 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 40' ' ' GLN . 47.9 tp -94.81 130.51 41.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.098 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 74.9 mtt-85 -67.21 131.09 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.396 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.545 HD13 ' N ' ' B' ' 74' ' ' ARG . 2.1 tm? -62.99 126.17 26.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.505 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.545 ' N ' HD13 ' B' ' 73' ' ' LEU . 56.3 ttp180 57.29 -86.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.96 136.01 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.558 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.531 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -167.86 -143.93 0.05 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 t70 55.16 46.6 23.56 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.022 0.439 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.761 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.91 -23.85 60.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.2 pt-20 -50.5 -39.0 47.3 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.183 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -58.43 -48.06 81.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.391 0.615 . . . . 0.0 109.397 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.752 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.1 mttm -62.11 -39.17 91.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.425 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 17' ' ' MET . 56.3 tp -59.15 -39.27 81.92 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.475 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' HA ' ' SD ' ' A' ' 17' ' ' MET . 46.8 t -60.65 -44.56 96.27 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.21 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.031 HG21 HD12 ' B' ' 8' ' ' LEU . 16.9 mm -56.17 -40.67 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.1 mt -61.7 -41.2 97.27 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.466 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.533 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 77.1 mtp -54.93 -53.78 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.5 -31.25 62.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.67 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.509 ' SD ' HG21 ' B' ' 44' ' ' ILE . 59.8 tpp -56.75 -38.54 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 4.3 m-85 -130.48 110.71 16.33 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.76 57.11 5.92 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.826 2.351 . . . . 0.0 112.382 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.75 -46.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.909 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.746 HG23 ' HD3' ' A' ' 27' ' ' LYS . 4.3 mp -74.44 132.04 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.96 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.7 m -68.82 154.38 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 55.6 mtpt -55.77 -39.52 71.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 m -58.13 -49.62 76.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.619 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.746 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.5 tttt -60.61 -50.34 73.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 16' ' ' LEU . 95.9 mt -56.82 -40.62 76.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.71 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.9 tt0 -58.99 -45.45 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.969 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 26' ' ' SER . 98.4 t -58.31 -44.58 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.91 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.515 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.3 m-70 -59.67 -46.2 89.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.291 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 9' ' ' HIS . 51.4 tp -63.16 -43.51 98.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.036 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.9 mt -58.08 -45.37 87.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 59.9 mm-40 -64.45 -45.48 87.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.644 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -79.36 28.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 5.4 m120 63.12 -72.62 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.927 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 25.9 t-20 178.09 72.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -153.8 127.98 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.03 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' HB3' ' A' ' 12' ' ' LYS . 92.8 mt -77.69 -39.86 43.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.429 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.9 -45.78 74.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.31 -61.23 1.93 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.262 0.553 . . . . 0.0 111.01 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 46' ' ' LEU . 63.0 m -51.86 -62.94 1.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.175 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.484 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 64.9 mt -55.69 -39.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.62 -45.11 47.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.457 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.4 tt -69.97 -40.12 75.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.343 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -56.32 -49.55 74.0 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.795 HD13 ' HB3' ' B' ' 49' ' ' GLN . 74.2 mt -53.96 -49.49 68.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.905 0.383 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -82.92 43.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.459 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -56.2 -34.68 66.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.074 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -157.32 48.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.95 138.4 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.845 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.48 131.98 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -64.65 136.72 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' B' ' 19' ' ' SER . 27.4 ttt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.888 0.375 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.483 HE22 ' HE1' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -145.94 -179.02 6.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.378 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.614 HD11 HG21 ' B' ' 17' ' ' VAL . 7.0 pt -146.19 137.1 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.662 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.561 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.7 m-85 -77.9 143.24 37.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.37 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.549 HG21 HD12 ' B' ' 15' ' ' LEU . 61.9 t -133.17 80.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.352 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 65.1 tttp -78.29 121.74 24.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.842 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -73.77 149.02 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.482 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 15' ' ' ILE . 30.2 tp -51.58 -39.69 58.37 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.339 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -74.16 -59.93 2.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 103.16 0.18 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.912 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' B' ' 11' ' ' LYS . 4.9 ttmp? 177.67 117.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.617 0.246 . . . . 0.0 110.684 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.8 m -90.06 76.51 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.383 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.483 HG13 ' HG2' ' B' ' 11' ' ' LYS . 61.9 mt -75.91 112.68 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 82.4 m -92.89 142.29 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.624 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG21 ' B' ' 5' ' ' VAL . 12.3 mt -141.69 142.82 33.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.837 0.351 . . . . 0.0 111.261 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.88 124.85 26.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.885 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.614 HG21 HD11 ' B' ' 3' ' ' ILE . 40.9 t -150.32 129.86 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.426 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' B' ' 20' ' ' SER . 42.0 mm-40 -72.6 160.72 31.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.065 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 71.5 p -76.09 27.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.458 ' H ' ' C ' ' B' ' 18' ' ' GLU . 87.6 p -165.1 28.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 38.8 t70 -76.09 -121.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.217 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.481 HG23 ' H ' ' B' ' 25' ' ' ASN . 3.4 t -173.77 138.71 0.66 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.252 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.609 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.5 mm -54.66 -41.5 56.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.668 ' H ' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -53.7 -44.78 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.481 ' H ' HG23 ' B' ' 22' ' ' THR . 22.7 t-20 -58.25 -42.67 86.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -55.99 -47.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.298 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.56 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 63.4 mttp -61.36 -36.45 80.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 m -59.87 -51.17 70.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.39 -46.74 88.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.835 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.29 -37.89 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.026 0.441 . . . . 0.0 110.77 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -46.03 91.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.297 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -67.51 -47.17 70.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.793 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.84 -61.59 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.07 -41.62 86.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.894 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.53 3.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.386 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -132.43 132.88 23.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.467 0.175 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 10.0 Cg_endo -53.15 138.73 63.22 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.608 2.205 . . . . 0.0 112.112 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.38 -44.55 48.43 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.767 2.311 . . . . 0.0 112.404 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.86 -40.71 93.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' B' ' 72' ' ' ARG . 70.7 tp60 -64.15 -50.6 67.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.188 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.88 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -74.49 138.83 43.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.621 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.591 HH21 ' HG2' ' B' ' 72' ' ' ARG . 12.7 ptp180 -130.49 128.24 40.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 83.6 mt -90.33 138.26 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.509 HG21 ' SD ' ' A' ' 19' ' ' MET . 91.6 mt -127.06 138.94 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.209 0.528 . . . . 0.0 111.311 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.609 ' HB3' HD21 ' B' ' 50' ' ' LEU . 23.8 t80 -163.76 140.87 7.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.389 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.47 34.01 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 109.969 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' B' ' 48' ' ' LYS . . . 59.38 32.22 72.06 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.905 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' B' ' 47' ' ' GLY . 26.7 mmmt -153.85 138.56 17.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.594 0.235 . . . . 0.0 110.794 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.795 ' HB3' HD13 ' A' ' 47' ' ' LEU . 15.9 pt20 -66.22 125.89 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.407 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' ' 45' ' ' PHE . 64.7 mt -78.18 128.09 33.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -78.2 136.32 37.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.341 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 50.2 p-10 -64.34 150.88 45.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.668 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 86.65 -32.11 4.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.727 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.609 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.4 mmt-85 -65.17 134.2 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.491 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -72.22 150.22 43.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.57 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 72.2 mt -54.36 -38.33 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -54.45 -34.98 62.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.804 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -53.33 -53.87 44.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -85.25 28.41 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.94 39.18 13.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.895 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.3 mt -73.53 121.7 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -80.18 -69.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.59 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -177.94 152.16 0.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.205 -179.666 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . 16.8 pt-20 44.72 37.54 2.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -69.32 143.99 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.561 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 89.8 m -86.59 123.57 31.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.483 HD12 ' C ' ' B' ' 66' ' ' THR . 6.8 mp -119.24 131.84 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.295 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.631 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 41.7 m170 -93.9 127.21 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.002 0.43 . . . . 0.0 112.121 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' B' ' 41' ' ' GLN . 60.3 tp -94.11 136.99 33.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.851 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.726 HG22 HD13 ' B' ' 8' ' ' LEU . 87.5 t -142.1 144.95 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.884 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.27 141.73 38.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -72.23 -116.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.228 179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.36 139.86 56.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.625 0.25 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -67.98 -141.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.02 136.54 0.06 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.839 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.577 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.723 0.297 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.16 135.28 57.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.518 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -166.89 33.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -74.77 -23.42 58.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 16.1 pt-20 -50.25 -35.95 29.17 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.387 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 14' ' ' SER . 67.6 m -59.82 -49.84 76.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.75 ' HB3' HD21 ' A' ' 39' ' ' LEU . 46.1 mmtm -56.16 -42.46 77.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.113 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 17' ' ' MET . 53.6 tp -60.73 -35.99 77.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.771 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 11' ' ' SER . 46.9 t -58.89 -48.76 80.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.499 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.701 HG13 ' NZ ' ' B' ' 6' ' ' LYS . 2.1 mp -57.53 -40.62 75.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.1 mt -60.5 -45.62 93.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 81.9 mtp -55.95 -51.45 67.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -71.72 -30.46 65.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.968 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' B' ' 68' ' ' HIS . 60.0 tpp -60.75 -45.77 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.918 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.707 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 10.5 m-85 -116.87 106.41 47.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.652 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.26 50.11 3.43 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.702 2.268 . . . . 0.0 112.596 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.92 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.4 mt -62.59 132.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -63.16 140.04 58.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -56.34 -39.97 73.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.4 t -58.71 -45.9 88.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.4 tttm -59.19 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.638 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.1 mt -56.84 -41.52 78.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.717 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.44 -42.7 99.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 26' ' ' SER . 92.5 t -58.01 -47.74 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' HB3' HG23 ' A' ' 42' ' ' THR . 93.5 m-70 -61.17 -40.07 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 9' ' ' HIS . 30.3 tp -62.66 -42.97 99.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.125 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.17 -47.29 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.582 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.67 -50.85 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.356 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -85.12 32.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 64.9 -71.89 0.07 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.332 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' OD1' HD11 ' A' ' 32' ' ' LEU . 49.2 t30 -179.09 33.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' ' 12' ' ' LYS . 98.9 mt -88.84 -45.13 9.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.839 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.63 -48.03 82.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 41' ' ' LEU . 6.4 tt -65.56 -56.95 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.714 0.292 . . . . 0.0 111.033 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.633 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 94.3 m -55.74 -60.63 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.707 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 62.3 mt -58.84 -39.12 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.45 -48.91 53.83 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.4 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 45' ' ' LEU . 7.5 tt -69.09 -40.76 78.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 42' ' ' THR . 87.4 mt -55.92 -36.94 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.202 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 90.0 mt -52.37 -43.64 64.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 1.7 mmmp? -81.36 41.22 0.6 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.452 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -57.19 -36.3 70.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -164.22 -50.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 48' ' ' LYS . 1.4 m-20 54.69 -132.65 1.81 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 66.47 136.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.039 0.447 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 10.6 mptt -63.91 131.03 46.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.944 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.554 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.1 pt20 -137.56 137.71 38.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.18 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.736 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -116.82 140.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.099 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.52 142.97 32.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 46.8 t -127.07 78.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.177 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.701 ' NZ ' HG13 ' A' ' 15' ' ' ILE . 49.6 tttm -69.29 126.58 30.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.301 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -91.81 150.04 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.74 HD11 HG13 ' B' ' 70' ' ' VAL . 96.2 mt -47.93 -38.7 17.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.853 0.359 . . . . 0.0 110.542 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -63.1 -57.65 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.573 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.4 63.14 0.01 OUTLIER Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.259 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.622 ' NZ ' HG12 ' B' ' 13' ' ' ILE . 61.0 tttm -155.78 118.71 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.047 0.424 . . . . 0.0 111.28 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.578 HG22 ' HB2' ' B' ' 6' ' ' LYS . 76.8 p -91.57 78.19 5.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.648 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.622 HG12 ' NZ ' ' B' ' 11' ' ' LYS . 57.3 mt -61.02 121.6 9.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.773 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.656 ' C ' HD22 ' B' ' 15' ' ' LEU . 78.8 m -90.91 133.16 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.573 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.656 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.21 149.41 52.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.471 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 89.1 tt0 -93.52 126.51 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.933 HG11 HG22 ' B' ' 26' ' ' VAL . 31.4 m -152.12 137.8 11.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.943 0.401 . . . . 0.0 111.368 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.513 ' HG3' ' H ' ' B' ' 20' ' ' SER . 5.4 tp10 -66.61 146.61 54.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.5 m -55.24 -40.48 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.662 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.513 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 54.9 m -97.84 35.57 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' O ' HG22 ' B' ' 55' ' ' THR . 54.7 t0 -83.45 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.555 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.66 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -172.94 143.51 1.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.7 mm -52.88 -38.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.56 -44.35 76.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.66 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -60.59 -43.17 97.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.933 HG22 HG11 ' B' ' 17' ' ' VAL . 55.8 t -59.2 -46.01 92.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -61.87 -46.14 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 28.2 mtpp -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.17 -34.63 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.063 0.459 . . . . 0.0 110.419 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.468 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 7.5 tt0 -60.84 -49.63 76.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.55 -41.9 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.486 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.02 -60.74 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.934 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.456 ' OE2' HD13 ' B' ' 13' ' ' ILE . 62.6 mm-40 -79.81 -40.54 28.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.875 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.72 44.95 3.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD21 ' B' ' 71' ' ' LEU . 65.3 mt -121.16 133.85 24.28 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.437 0.16 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 69.7 Cg_exo -50.85 137.8 42.72 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 0.0 112.055 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.468 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 18.9 Cg_endo -59.42 -45.1 28.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.592 2.195 . . . . 0.0 112.511 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.77 -44.12 97.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.732 HE21 HD22 ' B' ' 71' ' ' LEU . 42.5 tt0 -61.43 -55.51 30.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.86 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -67.57 143.69 55.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.507 ' HA ' HE22 ' B' ' 49' ' ' GLN . 85.4 mtm180 -137.5 124.49 21.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.53 88.02 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.489 HD13 HD21 ' A' ' 47' ' ' LEU . 89.4 mt -81.6 141.43 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.253 0.549 . . . . 0.0 111.515 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.746 ' HB3' HD21 ' B' ' 50' ' ' LEU . 19.2 t80 -165.14 151.61 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.542 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.15 30.72 19.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.334 0.588 . . . . 0.0 109.97 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.23 30.83 76.02 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 113.633 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -173.11 146.11 1.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 117.206 0.503 . . . . 0.0 111.945 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.507 HE22 ' HA ' ' B' ' 42' ' ' ARG . 3.4 tp60 -54.56 127.32 27.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.032 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' B' ' 45' ' ' PHE . 79.1 mt -76.3 132.02 39.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 93.9 mt-10 -69.56 131.07 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.51 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.41 -41.57 94.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.988 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.79 50.75 4.32 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.745 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.72 ' HA ' ' HE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -149.4 133.07 16.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 21' ' ' ASP . 64.8 p -74.56 155.02 38.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.28 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 61' ' ' ILE . 95.0 mt -52.96 -41.01 64.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.2 m -56.48 -33.35 65.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.632 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -51.83 -56.17 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.603 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.473 ' HB2' HG13 ' B' ' 61' ' ' ILE . 31.1 m-85 -85.53 25.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.631 0.253 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 48.14 35.92 5.93 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.5 mt -69.1 129.57 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.464 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.88 155.82 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.407 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -48.9 147.76 2.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.554 ' OE1' ' HG3' ' B' ' 2' ' ' GLN . 4.4 mm-40 64.97 38.21 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.23 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -70.03 137.73 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.37 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 46.3 m -85.84 74.6 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.92 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.9 mt -85.22 127.8 34.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.58 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 44.7 m170 -94.96 130.63 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.023 0.44 . . . . 0.0 111.796 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' B' ' 41' ' ' GLN . 62.4 tp -100.75 135.67 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.83 178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.74 HG13 HD11 ' B' ' 8' ' ' LEU . 92.5 t -140.61 127.46 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.052 0.453 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.732 HD22 HE21 ' B' ' 40' ' ' GLN . 85.5 mt -78.96 144.76 34.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.323 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 52.1 ttp180 -61.76 167.1 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.635 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 60.2 tp -54.88 136.76 46.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 74' ' ' ARG . 51.3 mtp85 -149.02 -45.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.22 -132.18 1.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.422 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.265 -1.297 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.577 0.227 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -173.91 -147.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.596 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.2 33.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.736 0.303 . . . . 0.0 111.003 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.482 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -77.12 -23.35 51.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.465 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 16.3 pt-20 -50.18 -40.02 45.64 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.815 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 15' ' ' ILE . 62.1 m -61.96 -47.65 83.92 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HB3' HD21 ' A' ' 39' ' ' LEU . 64.8 mmtt -57.97 -35.23 70.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.259 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 49.5 tp -63.39 -43.1 98.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.3 p -60.11 -46.67 88.84 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG21 HD12 ' B' ' 8' ' ' LEU . 1.7 mp -56.39 -40.2 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.84 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 28' ' ' LEU . 72.9 mt -61.7 -41.71 97.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.817 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.0 mtt -57.64 -51.29 70.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -71.08 -33.63 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.7 tpp -60.79 -42.6 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.983 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 18.2 m-85 -122.96 99.98 40.63 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.31 49.98 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.771 2.314 . . . . 0.0 112.732 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.19 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.677 0.275 . . . . 0.0 111.558 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG23 ' HD3' ' A' ' 27' ' ' LYS . 64.0 mt -59.07 134.19 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.252 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.3 p -61.19 140.47 57.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.191 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.43 -41.93 77.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 t -57.02 -45.32 83.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HD3' HG23 ' A' ' 23' ' ' ILE . 87.9 tttt -59.62 -50.29 74.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.9 mt -56.89 -39.24 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.1 tt0 -64.11 -42.2 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.683 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 26' ' ' SER . 85.4 t -59.54 -50.72 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.8 m-70 -60.66 -43.34 97.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 110.76 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 9' ' ' HIS . 37.7 tp -60.01 -41.43 92.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.061 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 94.9 mt -65.17 -46.3 81.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.536 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.12 -54.13 49.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.556 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.535 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 75.5 m-80 -82.7 35.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.29 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m120 63.29 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.486 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -178.95 34.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.535 ' OD2' ' HB3' ' A' ' 35' ' ' ASN . 2.3 p30 -90.94 134.3 34.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.989 0.423 . . . . 0.0 111.132 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 12' ' ' LYS . 93.6 mt -92.35 -42.66 9.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.443 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 65.4 tp -69.73 -54.75 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 90.1 m -56.49 -56.9 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.408 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.558 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 65.7 mt -60.77 -41.94 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.53 -46.21 53.3 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.915 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.3 -38.48 81.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.8 mt -61.89 -41.76 98.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.865 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' B' ' 48' ' ' LYS . 79.3 mt -54.14 -43.15 70.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.917 0.389 . . . . 0.0 110.658 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -65.6 -32.87 74.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.21 -46.21 88.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.221 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -84.02 36.72 0.57 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' H ' ' A' ' 52' ' ' ASP . 76.0 m-20 -78.86 -146.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.655 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' H ' ' HB3' ' A' ' 51' ' ' ASP . 1.5 m-20 -70.58 131.85 44.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.673 0.273 . . . . 0.0 110.721 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -175.97 133.36 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.919 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 25.7 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -87.15 143.46 27.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 3' ' ' ILE . 49.3 pt -137.66 132.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 111.041 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.598 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -82.05 144.87 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 43.5 t -131.96 78.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.369 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 88.8 tttt -66.38 120.24 12.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -74.32 148.3 41.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.038 HD22 HG13 ' B' ' 70' ' ' VAL . 33.9 tp -46.96 -34.35 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.349 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.0 p -69.63 -54.49 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.91 -42.9 0.32 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.205 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -53.87 125.97 20.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.832 0.348 . . . . 0.0 111.779 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 32.4 p -98.2 132.53 43.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -112.72 125.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.507 ' C ' HD22 ' B' ' 15' ' ' LEU . 90.1 m -94.14 129.48 40.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.295 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.661 HD12 ' HZ2' ' B' ' 29' ' ' LYS . 3.9 mm? -121.75 139.98 52.9 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 88.7 tt0 -89.35 122.47 32.61 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.561 HG11 HG22 ' B' ' 26' ' ' VAL . 2.2 p -167.5 129.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.369 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.608 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 80.7 mt-10 -76.46 143.94 40.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.711 ' HA ' HD12 ' B' ' 56' ' ' LEU . 44.4 t -58.93 -21.34 57.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.055 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -72.46 -28.72 63.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.939 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.608 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.2 m-20 -59.89 -121.43 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.632 HG23 ' H ' ' B' ' 25' ' ' ASN . 5.8 t -167.4 149.04 5.71 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 0.0 111.576 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.9 mm -54.27 -42.44 57.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' H ' ' H ' ' B' ' 53' ' ' GLY . 33.7 t70 -55.2 -41.47 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.622 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.632 ' H ' HG23 ' B' ' 22' ' ' THR . 23.8 t-20 -61.0 -43.13 99.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.388 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.561 HG22 HG11 ' B' ' 17' ' ' VAL . 84.9 t -57.75 -52.14 61.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.535 ' HG2' HD13 ' B' ' 43' ' ' LEU . 94.2 mttt -58.64 -36.91 74.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.272 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 50.6 m -61.71 -44.27 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.661 ' HZ2' HD12 ' B' ' 15' ' ' LEU . 7.3 mtpm? -59.09 -44.39 91.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.727 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.425 ' CD1' HD21 ' B' ' 43' ' ' LEU . 66.9 mt -64.15 -33.88 65.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.258 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.502 HE21 ' HD3' ' B' ' 38' ' ' PRO . 49.4 tt0 -61.78 -47.43 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.67 -43.03 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.624 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -64.0 -63.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.954 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.15 -38.0 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.07 8.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.982 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.458 HD13 HD13 ' B' ' 71' ' ' LEU . 70.5 mt -117.36 135.64 23.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.181 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 75.5 Cg_exo -50.67 140.4 37.08 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.484 2.123 . . . . 0.0 112.409 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.502 ' HD3' HE21 ' B' ' 31' ' ' GLN . 49.1 Cg_exo -55.83 -42.05 71.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.637 2.225 . . . . 0.0 112.607 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.36 -41.96 84.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.749 HE21 HD11 ' B' ' 71' ' ' LEU . 40.5 tt0 -60.32 -52.16 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.756 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -86.46 145.95 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 110.76 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.476 ' HD2' ' NE2' ' B' ' 49' ' ' GLN . 82.7 mtm180 -144.3 125.76 14.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.535 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.6 mp -88.18 114.21 24.57 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.901 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 88.2 mt -101.14 142.97 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.078 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HB3' HD21 ' B' ' 50' ' ' LEU . 21.6 t80 -160.24 144.54 14.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.064 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.69 35.02 24.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.151 0.501 . . . . 0.0 110.439 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 29.88 71.38 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.547 -0.752 . . . . 0.0 113.505 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -172.74 137.35 0.77 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.962 0.41 . . . . 0.0 111.778 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.661 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 7.9 tt0 -58.09 126.45 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.297 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' B' ' 45' ' ' PHE . 73.4 mt -70.36 126.6 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.41 126.64 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.7 p30 -71.78 146.37 48.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.832 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.52 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 108.47 -34.16 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.509 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.23 -143.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.746 0.307 . . . . 0.0 111.075 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 54.5 p -151.36 145.17 25.1 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 19' ' ' SER . 97.0 mt -55.46 -36.29 66.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.609 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.34 -40.54 94.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.195 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.23 -56.44 21.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.461 ' CD2' HD22 ' B' ' 50' ' ' LEU . 12.3 m-85 -68.81 -11.21 60.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 62.08 38.34 14.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.587 HD12 HD23 ' B' ' 56' ' ' LEU . 75.6 mt -66.73 125.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -67.17 159.19 29.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.591 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -67.36 136.09 54.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 62.05 41.72 10.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.638 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.8 m -76.9 143.82 39.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 68.5 m -83.53 86.17 7.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.369 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 8.9 mp -86.01 126.87 34.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.782 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 10.2 m-70 -77.08 156.38 31.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.517 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 41' ' ' GLN . 44.9 tp -143.1 91.21 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.038 HG13 HD22 ' B' ' 8' ' ' LEU . 88.7 t -75.75 135.53 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.32 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.749 HD11 HE21 ' B' ' 40' ' ' GLN . 44.1 tp -101.18 126.16 47.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.899 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 79.5 ttt180 -75.29 133.46 41.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.643 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.73 133.14 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -66.3 136.81 56.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.61 -131.57 43.92 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.573 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.623 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.883 0.373 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.2 -47.27 0.07 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.512 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -174.22 103.99 0.11 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.003 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -74.02 -26.2 60.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.355 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 56.2 mt-10 -52.65 -38.97 61.33 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.09 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' SER . 25.8 m -59.4 -50.62 73.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.559 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.936 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.2 mttt -59.27 -39.43 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.358 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 16' ' ' LEU . 55.4 tp -61.96 -36.51 81.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.558 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 11' ' ' SER . 44.2 t -59.3 -46.67 87.92 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.71 -39.33 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.545 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' HD13 ' A' ' 28' ' ' LEU . 97.6 mt -59.79 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 59.1 mtm -60.13 -51.2 70.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.524 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.475 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.8 t70 -67.49 -40.78 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.519 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 43' ' ' ILE . 56.0 ttm -60.18 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.273 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.728 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 25.1 m-85 -105.01 92.09 5.01 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.957 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 19' ' ' MET . 87.2 Cg_endo -78.07 59.63 7.04 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.634 2.223 . . . . 0.0 112.224 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' A' ' 23' ' ' ILE . . . -165.71 -48.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.091 0.472 . . . . 0.0 111.682 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG23 ' HD3' ' A' ' 27' ' ' LYS . 3.9 mp -74.12 135.23 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.801 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -61.78 147.46 46.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.507 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -56.47 -39.14 72.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.088 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.5 m -56.53 -47.59 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' HG23 ' A' ' 23' ' ' ILE . 62.9 tttp -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.919 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -56.97 -39.55 74.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.509 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.5 tt0 -62.28 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.648 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' SER . 68.8 t -60.55 -47.88 90.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 42' ' ' THR . 91.1 m-70 -60.25 -44.1 95.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.77 -41.25 95.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.7 mt -64.7 -45.66 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.419 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 54.2 mt-10 -58.61 -52.12 67.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.067 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.649 ' HB3' HD23 ' A' ' 41' ' ' LEU . 72.9 m-80 -83.71 32.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 64.75 -72.82 0.06 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -177.92 31.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -86.83 127.81 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 12' ' ' LYS . 76.3 mt -79.71 -52.91 7.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.751 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.12 -40.86 70.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.646 0.26 . . . . 0.0 111.158 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 35' ' ' ASN . 40.8 tp -68.84 -65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.076 0.465 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 31' ' ' HIS . 97.3 m -51.27 -59.73 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.035 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.728 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 73.4 mt -56.21 -37.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.57 -49.91 44.33 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.634 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.756 0.312 . . . . 0.0 110.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 42' ' ' THR . 4.4 mm? -57.76 -41.46 81.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.415 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' B' ' 48' ' ' LYS . 62.0 mt -55.45 -50.01 70.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 0.0 110.111 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 8.5 mtpm? -82.98 42.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.566 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.75 -43.91 73.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -70.46 -144.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.833 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 8.4 t70 55.37 -122.19 1.83 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.618 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 34.2 t70 63.27 120.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.026 0.441 . . . . 0.0 111.168 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -94.31 137.29 33.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.909 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.862 0.363 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.707 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 65.4 mt-30 -146.37 -178.41 6.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 pt -147.83 130.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -88.2 118.21 27.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.415 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.77 96.04 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.252 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 87.5 tttt -90.97 130.05 36.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.705 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.4 p -93.55 147.95 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.273 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.732 HD22 HG21 ' A' ' 15' ' ' ILE . 52.5 mt -50.57 -38.58 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -60.67 -57.82 11.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.401 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.01 53.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.584 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.496 ' HE2' HD11 ' B' ' 13' ' ' ILE . 86.8 tttt -138.74 126.36 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.032 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -103.41 138.19 40.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.274 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.496 HD11 ' HE2' ' B' ' 11' ' ' LYS . 75.2 mt -135.76 93.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.523 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.4 ' C ' ' HG ' ' B' ' 15' ' ' LEU . 91.4 m -73.07 143.74 47.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.425 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' B' ' 14' ' ' THR . 9.4 mt -145.68 136.24 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.707 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 43.8 tt0 -75.5 131.59 40.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.2 m -151.58 135.97 9.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.375 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' B' ' 20' ' ' SER . 43.5 tp10 -70.72 149.17 47.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.98 -40.83 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.485 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 53.1 m -82.18 49.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 8.6 t70 -120.22 124.22 45.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.125 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.706 HG23 ' H ' ' B' ' 25' ' ' ASN . 7.9 t -71.12 143.46 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.85 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.597 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.9 mm -51.79 -41.64 30.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' B' ' 53' ' ' GLY . 63.8 t0 -54.65 -45.86 73.9 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.706 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -57.07 -43.21 81.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.74 179.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.477 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.1 t -59.21 -38.76 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.088 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.598 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.9 -44.48 94.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.091 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.6 m -59.74 -46.35 89.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -59.55 -43.61 93.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 26' ' ' VAL . 68.3 mt -58.15 -41.09 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tp60 -58.25 -47.05 84.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.758 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -62.91 -35.95 81.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.115 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -68.84 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.165 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -81.07 -38.49 27.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.04 37.68 11.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.007 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -101.36 133.3 20.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.428 0.156 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.9 Cg_endo -52.17 141.77 47.53 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.704 2.27 . . . . 0.0 112.159 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.29 -42.73 62.98 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.841 2.361 . . . . 0.0 112.837 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.97 -44.05 94.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.981 0.419 . . . . 0.0 110.775 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -67.42 -58.67 4.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.436 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.692 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.1 pt20 -69.32 139.44 54.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 111.796 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.65 110.85 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.273 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.598 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.0 mm? -83.95 110.43 18.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.45 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.59 HD13 HD21 ' A' ' 47' ' ' LEU . 77.2 mt -98.24 142.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.824 ' HB3' HD21 ' B' ' 50' ' ' LEU . 34.6 t80 -163.2 146.18 10.43 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.52 -32.97 0.25 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.721 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' HD1' ' A' ' 20' ' ' PHE . . . 164.1 -17.19 0.11 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.822 ' HA ' HD22 ' A' ' 47' ' ' LEU . 22.9 pttm -158.95 165.41 34.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.394 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.59 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -53.31 134.37 39.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.091 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.2 mt -70.27 135.74 49.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 50.2 mt-10 -70.58 132.26 45.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.66 142.37 57.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.563 ' H ' ' HB2' ' B' ' 24' ' ' ASP . . . 93.83 -31.59 6.44 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.942 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.597 ' O ' HG12 ' B' ' 23' ' ' ILE . 12.2 mmp_? -64.7 134.7 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.376 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -75.88 151.74 37.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 83.0 mt -53.37 -40.28 64.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.943 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.8 p -55.31 -32.98 62.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.265 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.86 -53.89 51.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.344 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.579 ' HB2' HG13 ' B' ' 61' ' ' ILE . 21.8 m-85 -83.45 16.46 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 49.3 34.25 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.579 HG13 ' HB2' ' B' ' 59' ' ' TYR . 68.2 mt -71.77 123.15 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.4 pm0 -84.02 -155.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -96.94 148.41 22.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.319 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.03 42.73 15.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.373 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 m -73.75 -152.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.1 m -162.63 131.67 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.1 133.8 55.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.324 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.516 ' ND1' ' HB2' ' A' ' 19' ' ' MET . 33.3 m170 -93.85 109.76 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' B' ' 41' ' ' GLN . 64.2 tp -76.23 137.34 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.199 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.6 HG22 HD11 ' B' ' 8' ' ' LEU . 57.4 t -140.62 129.87 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.934 0.397 . . . . 0.0 111.286 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.9 mp -85.91 141.65 29.41 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.857 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.02 -72.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.498 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.539 HD12 ' N ' ' B' ' 73' ' ' LEU . 5.6 mp -81.95 137.94 35.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.593 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' B' ' 75' ' ' GLY . 51.5 ttp85 57.85 -112.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.431 ' N ' ' HG2' ' B' ' 74' ' ' ARG . . . 67.08 44.59 87.37 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.422 179.879 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.462 0.172 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 65.21 139.53 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -167.96 41.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.769 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.622 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -81.58 -22.98 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.252 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 24.0 pt-20 -49.86 -34.66 20.67 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.754 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -58.88 -48.98 79.5 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.82 ' HB3' HD21 ' A' ' 39' ' ' LEU . 38.7 mtmm -59.98 -38.29 82.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.304 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.89 -38.88 87.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.702 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 t -59.22 -47.84 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.647 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.928 HG21 HD22 ' B' ' 8' ' ' LEU . 1.7 mp -57.66 -40.23 74.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.114 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' A' ' 28' ' ' LEU . 77.3 mt -60.24 -42.03 94.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.821 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' HE3' ' A' ' 25' ' ' LYS . 81.7 mtp -61.9 -50.94 70.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.558 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -67.55 -44.33 78.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.611 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 56.8 ttm -59.5 -50.22 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.206 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.668 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 26.8 m-85 -102.03 98.13 9.57 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.44 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 19' ' ' MET . 90.8 Cg_endo -80.16 50.77 3.65 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.613 2.208 . . . . 0.0 112.955 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.98 -42.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 27' ' ' LYS . 63.3 mt -59.92 134.05 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.287 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 t -65.94 144.3 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HE3' ' SD ' ' A' ' 17' ' ' MET . 60.0 mtpt -55.1 -44.88 75.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.0 t -56.7 -44.8 81.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.098 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HD2' HG23 ' A' ' 23' ' ' ILE . 25.1 ttmm -61.25 -48.99 78.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.073 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 16' ' ' LEU . 97.3 mt -56.75 -41.29 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.933 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 40.1 tt0 -63.06 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 26' ' ' SER . 89.6 t -58.94 -51.53 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' HB3' HG23 ' A' ' 42' ' ' THR . 83.2 m-70 -60.93 -41.31 95.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 53.4 tp -60.38 -43.67 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.17 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 96.1 mt -63.41 -47.86 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.401 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 -44.35 91.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -77.29 34.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 45.87 38.03 4.07 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 76.3 m-20 57.92 42.77 22.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 112.037 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.79 128.38 49.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 0.0 111.025 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.82 HD21 ' HB3' ' A' ' 12' ' ' LYS . 87.0 mt -79.35 -48.97 13.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.624 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.8 -39.03 90.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.902 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 41' ' ' LEU . 3.0 tm? -71.88 -55.76 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.679 0.276 . . . . 0.0 111.041 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.574 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 63.2 m -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.668 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 68.0 mt -60.79 -42.55 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.33 -45.43 52.72 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.972 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.2 tt -68.13 -40.78 82.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 109.967 179.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 42' ' ' THR . 94.5 mt -60.91 -29.27 69.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.74 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.731 HD21 HD13 ' B' ' 44' ' ' ILE . 76.5 mt -63.52 -46.84 84.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.271 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -77.18 30.13 0.14 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -87.36 -42.95 12.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -79.81 46.43 0.78 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.48 139.47 49.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -77.62 43.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.359 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -62.95 135.32 57.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.929 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.721 ' HE1' HD13 ' B' ' 56' ' ' LEU . 1.5 tmt? . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.55 166.52 16.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 17' ' ' VAL . 12.2 pt -142.97 132.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.015 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.2 m-85 -81.88 150.58 27.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.708 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' B' ' 69' ' ' LEU . 45.7 t -137.36 78.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 12' ' ' THR . 86.2 tttt -80.14 116.81 20.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.644 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 11' ' ' LYS . 2.3 t -80.12 141.95 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.604 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 15' ' ' ILE . 36.2 mt -49.43 -34.88 17.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.757 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -51.44 -55.0 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.549 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.55 54.36 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.968 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 7' ' ' THR . 7.5 tmtm? -162.13 118.54 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.852 0.358 . . . . 0.0 110.799 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 54.7 m -85.87 134.24 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.578 HG21 ' NZ ' ' B' ' 33' ' ' LYS . 64.7 mt -124.38 109.9 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 111.45 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -83.02 145.93 29.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.643 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.559 HD21 ' HZ2' ' B' ' 33' ' ' LYS . 14.0 mt -146.28 143.85 29.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.609 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -74.55 125.16 28.02 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.615 HG21 HD11 ' B' ' 3' ' ' ILE . 25.4 t -150.46 132.67 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.096 0.474 . . . . 0.0 111.842 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.23 141.8 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.233 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 36.1 m -59.74 -30.38 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 m -102.24 31.14 4.12 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.749 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' B' ' 25' ' ' ASN . 35.4 t70 -79.33 -128.82 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.752 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.8 t -175.03 140.46 0.53 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.66 0.267 . . . . 0.0 110.729 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.621 HG22 ' HE3' ' B' ' 27' ' ' LYS . 32.4 mm -51.99 -37.91 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 8.1 t70 -58.03 -47.1 84.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.752 ' H ' HG23 ' B' ' 22' ' ' THR . 49.4 t30 -59.88 -42.44 93.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.741 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.533 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.46 -47.55 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' B' ' 23' ' ' ILE . 96.9 mttt -61.12 -41.15 96.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.428 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -58.41 -45.07 89.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.563 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -62.54 -40.43 96.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.346 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.533 HG13 ' O ' ' B' ' 26' ' ' VAL . 67.5 mt -60.15 -42.48 90.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.438 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.7 tp60 -62.02 -51.57 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.42 -38.92 85.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.403 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.737 ' HE3' ' HG3' ' B' ' 34' ' ' GLU . 36.3 ttpt -73.68 -76.66 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.27 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.737 ' HG3' ' HE3' ' B' ' 33' ' ' LYS . 49.9 mt-10 -69.03 -35.84 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 77.43 37.32 31.66 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.177 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.402 HG21 HD22 ' B' ' 71' ' ' LEU . 63.8 mt -91.97 133.81 29.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.129 . . . . 0.0 110.771 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 7.3 Cg_endo -50.86 133.46 39.81 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.6 Cg_exo -56.13 -41.15 79.78 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.314 2.01 . . . . 0.0 111.691 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.92 33.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.101 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.719 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 36.6 tt0 -161.29 31.6 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.009 0.433 . . . . 0.0 110.724 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.474 ' HB2' HE21 ' B' ' 41' ' ' GLN . 0.0 OUTLIER -166.26 139.81 4.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.728 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.622 ' HB2' HE21 ' B' ' 49' ' ' GLN . 3.9 ptp85 -154.74 134.33 12.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.334 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' B' ' 30' ' ' ILE . 98.6 mt -87.01 125.56 34.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.667 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.762 HD12 HG21 ' B' ' 70' ' ' VAL . 88.5 mt -117.2 141.33 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.484 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.447 ' CE2' HG12 ' B' ' 61' ' ' ILE . 21.5 t80 -158.24 150.46 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.652 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.95 31.42 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.66 32.38 74.47 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.616 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.529 ' HA ' HD22 ' A' ' 47' ' ' LEU . 6.4 ttpm? -172.71 142.48 1.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 117.231 0.515 . . . . 0.0 111.816 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.622 HE21 ' HB2' ' B' ' 42' ' ' ARG . 49.3 tt0 -56.37 131.57 48.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.757 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' B' ' 45' ' ' PHE . 85.1 mt -82.61 129.73 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.46 133.06 49.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.4 p30 -60.24 -41.56 93.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 43.7 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.83 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.569 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.9 mmt-85 -146.98 132.9 19.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.897 0.379 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.1 p -74.18 155.29 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' B' ' 1' ' ' MET . 93.3 mt -53.06 -41.11 64.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.938 0.399 . . . . 0.0 110.83 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -58.6 -31.38 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.02 -56.34 14.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.459 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.454 ' HB2' HG13 ' B' ' 61' ' ' ILE . 54.9 m-85 -82.64 26.04 0.6 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 49.37 33.08 5.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 56' ' ' LEU . 63.9 mt -66.81 126.24 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.992 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -74.97 -138.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.782 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -120.71 142.38 49.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 61.32 40.41 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -69.53 139.11 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 75.4 m -88.41 87.25 7.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.535 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -85.91 134.06 33.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.128 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 37.3 m170 -89.13 120.08 30.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.411 ' HB2' ' CG1' ' B' ' 5' ' ' VAL . 64.7 tp -83.56 81.07 8.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.442 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.762 HG21 HD12 ' B' ' 44' ' ' ILE . 83.1 t -71.91 122.42 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.891 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.402 HD22 HG21 ' B' ' 36' ' ' ILE . 90.4 mt -99.72 137.39 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.517 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.719 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 51.7 ttt-85 -68.12 -105.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.654 HD13 ' N ' ' B' ' 74' ' ' ARG . 2.5 tm? -62.26 132.87 54.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.787 0.327 . . . . 0.0 110.124 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.654 ' N ' HD13 ' B' ' 73' ' ' LEU . 3.7 mmm180 -68.34 -135.1 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.53 -135.08 35.9 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.537 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.508 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.821 0.344 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.11 -123.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 58.11 36.07 25.62 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.632 0.253 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CE1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -69.96 -22.86 63.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.482 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 46.7 mt-10 -50.22 -37.46 35.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -60.5 -45.21 94.6 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HB3' HD21 ' A' ' 39' ' ' LEU . 25.7 mmtp -59.42 -39.12 82.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.861 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.5 tp -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.898 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 m -58.66 -47.15 85.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.542 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.897 HG21 ' HG ' ' B' ' 8' ' ' LEU . 1.7 mp -57.75 -40.29 74.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.005 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' A' ' 28' ' ' LEU . 93.5 mt -60.64 -42.11 96.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.1 mtt -63.24 -53.94 45.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 8.4 t70 -65.59 -44.43 86.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.398 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.621 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 57.9 ttm -60.43 -45.5 93.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.147 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.715 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 33.3 m-85 -106.59 89.93 4.57 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.23 51.32 3.65 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.701 2.267 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.81 -39.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 27' ' ' LYS . 66.4 mt -63.32 133.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 111.109 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -65.3 145.95 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.84 -42.38 65.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 30' ' ' VAL . 52.8 m -59.13 -48.52 81.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.141 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.801 ' HD2' HG23 ' A' ' 23' ' ' ILE . 4.9 ttmp? -57.84 -43.09 85.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.098 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.785 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.0 mt -60.1 -46.55 89.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.62 -40.24 96.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 26' ' ' SER . 87.9 t -63.62 -56.87 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.785 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 6.3 p80 -60.86 -42.05 97.08 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.424 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 53.4 tp -57.84 -48.71 78.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.351 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 9' ' ' HIS . 89.9 mt -68.52 -47.21 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 57.0 mt-10 -53.94 -45.52 71.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.7 m120 -64.73 -76.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.14 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER 171.08 36.04 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.117 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 55.17 38.74 30.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.81 138.24 47.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.701 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 12' ' ' LYS . 86.6 mt -85.46 -56.52 3.48 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.77 -42.54 71.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 41' ' ' LEU . 2.5 tm? -69.71 -60.51 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.317 . . . . 0.0 111.516 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' ND1' ' A' ' 31' ' ' HIS . 21.5 m -57.46 -55.12 38.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.261 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.715 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 80.8 mt -57.77 -41.85 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -46.88 60.01 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.859 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 45' ' ' LEU . 7.6 tt -67.56 -38.82 84.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.275 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 42' ' ' THR . 95.9 mt -60.28 -38.23 82.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.05 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.976 HD22 ' HA ' ' B' ' 48' ' ' LYS . 48.2 mt -48.66 -47.42 40.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.882 0.373 . . . . 0.0 111.138 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -69.26 -39.37 78.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.473 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -53.89 -50.71 65.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.236 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -66.9 125.64 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' N ' HD22 ' A' ' 50' ' ' ASN . 64.3 t0 -177.19 128.6 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.586 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.22 41.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.861 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 54' ' ' SER . 39.6 ttmt 57.17 -120.66 1.38 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 68.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.803 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.609 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.9 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.044 0.45 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -69.41 157.99 35.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.238 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 pt -148.1 130.09 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.556 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -77.1 142.18 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.973 0.416 . . . . 0.0 111.478 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.6 t -129.61 80.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.988 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.633 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 63.6 tttp -77.08 135.31 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.522 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.5 p -101.22 137.21 39.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 15' ' ' ILE . 10.3 mp -52.11 -34.56 44.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.695 0.283 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -58.74 -53.71 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.44 57.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.815 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -160.59 122.93 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.961 0.41 . . . . 0.0 111.21 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 88.1 m -103.03 138.71 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.784 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' B' ' 15' ' ' LEU . 57.1 mt -131.76 126.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 111.206 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.69 ' C ' HD22 ' B' ' 15' ' ' LEU . 88.5 m -93.91 133.96 36.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.474 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.69 HD22 ' C ' ' B' ' 14' ' ' THR . 3.3 mm? -134.36 142.73 47.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -94.57 129.62 41.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 1' ' ' MET . 22.2 m -149.43 136.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.976 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' B' ' 20' ' ' SER . 39.6 tt0 -66.43 150.84 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.9 p -54.08 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.793 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.479 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 38.6 t -90.73 33.07 0.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.46 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 22' ' ' THR . 27.9 t70 -83.67 -141.22 0.06 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.64 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -166.08 144.36 5.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.929 0.395 . . . . 0.0 111.038 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.6 mm -50.97 -40.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.158 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.06 -43.86 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.311 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.64 ' H ' HG23 ' B' ' 22' ' ' THR . 2.2 m120 -59.08 -44.95 91.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.911 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.505 HG22 HG11 ' B' ' 17' ' ' VAL . 45.4 t -59.39 -45.1 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.583 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.92 -39.22 88.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -59.54 -46.15 89.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.097 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -58.7 -47.8 83.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.433 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.1 -36.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.4 tt0 -60.3 -44.19 95.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.14 -44.24 72.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.546 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.668 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.1 mtpm? -65.89 -62.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.32 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.086 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 79.51 37.98 22.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.849 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -110.11 134.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.03 144.54 56.95 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.561 2.174 . . . . 0.0 111.976 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.2 Cg_endo -53.36 -40.51 77.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.753 2.302 . . . . 0.0 112.41 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.02 -40.98 87.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.783 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -79.09 35.44 0.26 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.257 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.913 ' HB2' HD11 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -166.66 146.37 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.935 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.803 ' HD2' ' HA ' ' B' ' 73' ' ' LEU . 40.1 mtp180 -143.81 123.47 13.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.266 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' B' ' 49' ' ' GLN . 69.2 mt -90.85 83.21 5.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.375 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.699 HD13 HD21 ' A' ' 47' ' ' LEU . 79.5 mt -81.67 137.54 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.723 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.53 ' HE2' HG12 ' B' ' 61' ' ' ILE . 27.5 t80 -161.31 144.61 12.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.878 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.11 -31.54 0.19 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.187 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 174.66 -24.39 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.052 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.976 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.37 167.79 17.4 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.931 0.396 . . . . 0.0 111.684 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 2.9 pt20 -53.08 129.93 32.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.202 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.424 HD11 ' HD2' ' B' ' 45' ' ' PHE . 50.4 mt -76.24 139.53 41.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.629 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.54 134.56 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -76.37 46.35 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.678 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.34 47.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.408 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' O ' HG12 ' B' ' 23' ' ' ILE . 27.1 mmm180 -145.63 133.28 20.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.425 HG22 ' O ' ' B' ' 21' ' ' ASP . 82.5 p -63.9 148.75 48.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.6 -37.45 50.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.5 t -55.22 -36.22 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.867 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.41 -56.57 15.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.561 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HB2' HG13 ' B' ' 61' ' ' ILE . 50.7 m-85 -82.46 11.43 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.619 0.247 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 50.3 38.52 17.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.53 HG12 ' HE2' ' B' ' 45' ' ' PHE . 71.7 mt -63.64 128.9 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.422 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.68 ' NE2' ' H ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -80.75 147.75 30.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.744 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -63.12 138.21 58.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 65.03 39.25 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.897 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' B' ' 66' ' ' THR . 49.7 m -80.3 -148.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.66 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.537 ' C ' HD12 ' B' ' 67' ' ' LEU . 87.8 m -161.03 130.98 4.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.032 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.537 HD12 ' C ' ' B' ' 66' ' ' THR . 6.6 mp -123.41 144.43 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.624 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 36.3 m170 -97.02 128.7 44.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.174 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' B' ' 41' ' ' GLN . 63.8 tp -103.26 96.62 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.56 HG21 HD12 ' B' ' 44' ' ' ILE . 45.8 t -74.29 134.21 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.597 ' HG ' ' HG3' ' B' ' 72' ' ' ARG . 62.9 tp -72.13 124.68 25.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.635 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.783 ' HA ' ' HA ' ' B' ' 40' ' ' GLN . 95.9 mtt180 57.19 166.69 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.487 0.661 . . . . 0.0 112.061 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.803 ' HA ' ' HD2' ' B' ' 42' ' ' ARG . 15.0 tp -74.83 -147.91 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.366 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.745 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 45.0 mmm-85 -59.41 136.37 57.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.656 0.265 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.92 -138.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.559 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.821 0.343 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -78.71 -41.25 31.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 66.65 38.37 4.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -71.1 -23.47 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 109.942 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 57.2 mm-40 -50.1 -35.61 26.26 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -59.73 -48.39 81.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.676 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.14 -40.28 80.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 178.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 16' ' ' LEU . 45.6 tp -62.89 -40.15 96.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.798 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -59.31 -46.55 88.28 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.91 HG21 HD22 ' B' ' 8' ' ' LEU . 1.8 mp -57.43 -41.99 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 13' ' ' LEU . 87.5 mt -59.58 -41.42 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 60.2 mtt -61.88 -55.78 26.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.429 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.564 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 63.3 t0 -65.22 -42.86 93.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.342 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB2' ' ND1' ' B' ' 68' ' ' HIS . 55.2 ttm -59.47 -42.07 91.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.684 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 49.6 m-85 -113.85 76.97 3.39 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 73.9 Cg_endo -74.33 51.64 2.58 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.745 2.297 . . . . 0.0 112.562 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.2 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.141 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -64.69 135.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -60.39 139.66 57.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -56.06 -34.27 65.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.8 p -53.15 -50.2 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.48 -44.44 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' NE2' ' A' ' 31' ' ' HIS . 96.3 mt -60.34 -44.13 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.04 -40.91 91.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.226 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 26' ' ' SER . 81.4 t -61.83 -55.97 20.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.106 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.729 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 5.9 p80 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.346 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 45.0 tp -58.24 -47.63 82.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.38 -48.94 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.14 -47.44 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -76.87 40.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 43.75 47.06 6.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 32' ' ' LEU . 12.0 p-10 41.56 39.8 1.2 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.572 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.3 140.82 32.25 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.606 0.241 . . . . 0.0 110.622 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' HG3' ' A' ' 12' ' ' LYS . 87.8 mt -98.0 -55.19 2.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.33 -47.24 85.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.42 -56.21 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.569 HG21 ' ND1' ' A' ' 31' ' ' HIS . 56.3 m -56.77 -55.42 34.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.684 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 77.4 mt -64.0 -41.41 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.16 -48.96 31.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.7 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 45' ' ' LEU . 6.6 tt -67.46 -40.47 85.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.503 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.38 -37.88 73.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.807 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.908 HD22 ' HA ' ' B' ' 48' ' ' LYS . 35.9 mt -61.91 -46.99 86.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.039 0.447 . . . . 0.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -81.35 41.71 0.63 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.24 -55.96 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.46 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.75 -51.29 7.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.579 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 65.94 132.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.975 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -58.88 -44.61 91.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.086 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HD3' ' N ' ' A' ' 53' ' ' LYS . 2.7 mppt? -63.04 136.81 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.921 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 121.321 0.582 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.581 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 25.8 mt-30 -69.86 167.52 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.69 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.491 HD13 HG21 ' B' ' 17' ' ' VAL . 33.5 pt -149.27 135.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.764 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.621 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 4.3 m-85 -82.73 144.87 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.639 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.83 78.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.88 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 86.2 tttt -73.65 125.65 28.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.887 -179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -84.23 145.9 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.903 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.954 HD11 HG22 ' B' ' 70' ' ' VAL . 37.9 mt -50.09 -36.98 31.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.751 0.31 . . . . 0.0 110.636 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -62.38 -54.36 41.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.92 -40.82 0.35 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.125 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -55.18 130.98 44.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 111.581 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 90.3 m -113.65 133.93 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.684 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -116.51 128.12 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 111.587 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -99.84 136.22 40.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.305 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' O ' HG12 ' B' ' 3' ' ' ILE . 40.9 mt -144.77 138.15 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.458 . . . . 0.0 111.136 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 89.0 tt0 -86.12 134.05 33.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.43 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.723 HG11 HG22 ' B' ' 26' ' ' VAL . 28.9 m -150.43 134.26 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.585 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 88.3 tt0 -67.44 145.66 54.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.58 ' HA ' HD12 ' B' ' 56' ' ' LEU . 57.5 m -77.29 42.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -160.44 40.45 0.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.585 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.4 m-20 -121.56 -121.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.705 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.587 HG23 ' H ' ' B' ' 25' ' ' ASN . 8.0 t -167.46 145.78 4.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 111.183 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.518 HG22 ' HE3' ' B' ' 27' ' ' LYS . 45.8 mm -51.45 -37.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.679 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' B' ' 52' ' ' ASP . 8.0 t70 -55.78 -42.12 75.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.587 ' H ' HG23 ' B' ' 22' ' ' THR . 0.7 OUTLIER -57.26 -45.16 84.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.301 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.723 HG22 HG11 ' B' ' 17' ' ' VAL . 59.8 t -59.83 -46.03 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.461 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' B' ' 31' ' ' GLN . 97.1 mttt -57.69 -44.45 85.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.398 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -58.14 -44.05 87.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.508 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 54.5 mtpt -59.56 -41.21 89.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.453 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 26' ' ' VAL . 66.4 mt -60.65 -43.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 27' ' ' LYS . 15.7 mt-30 -58.05 -54.51 46.12 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.633 0.73 . . . . 0.0 110.531 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.01 -38.13 78.51 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -73.09 -76.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.029 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.18 -42.44 96.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.784 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.13 57.74 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.343 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.5 HG23 ' NE2' ' B' ' 40' ' ' GLN . 76.7 mt -143.39 130.21 10.54 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.539 0.209 . . . . 0.0 111.143 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.663 ' HG2' ' HG2' ' B' ' 40' ' ' GLN . 18.4 Cg_endo -59.12 143.13 99.9 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.547 2.165 . . . . 0.0 112.213 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.49 -32.38 93.59 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.97 2.446 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 8.4 t70 -55.77 -47.44 77.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.845 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.663 ' HG2' ' HG2' ' B' ' 37' ' ' PRO . 19.6 pt20 -89.52 38.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.592 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 3.1 pt20 -167.96 137.2 2.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 111.0 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.612 ' HE ' ' NE2' ' B' ' 49' ' ' GLN . 23.5 mmm180 -134.16 124.78 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.291 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.527 HD13 ' HG2' ' B' ' 27' ' ' LYS . 6.8 mp -84.55 121.36 27.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.145 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 72.8 mt -108.4 142.64 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.223 0.535 . . . . 0.0 111.911 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' CE2' HG12 ' B' ' 61' ' ' ILE . 29.5 t80 -152.9 145.77 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.191 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.571 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.98 -65.27 0.3 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.594 0.559 . . . . 0.0 110.884 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.26 17.23 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.707 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.908 ' HA ' HD22 ' A' ' 47' ' ' LEU . 24.2 pttm -173.72 156.71 2.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.901 0.381 . . . . 0.0 111.23 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.612 ' NE2' ' HE ' ' B' ' 42' ' ' ARG . 3.2 pt20 -58.48 126.41 27.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.411 ' HB2' HG21 ' B' ' 23' ' ' ILE . 82.6 mt -70.48 137.02 49.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.041 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.93 139.23 56.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' B' ' 24' ' ' ASP . 2.3 p30 -77.88 46.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.96 50.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -145.75 135.52 23.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.908 0.385 . . . . 0.0 111.333 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' B' ' 21' ' ' ASP . 72.2 p -65.34 153.65 40.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.383 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' B' ' 19' ' ' SER . 94.0 mt -55.61 -41.72 73.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.5 m -59.28 -29.19 67.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.729 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -52.26 -57.31 10.1 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.671 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.88 22.01 1.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.59 0.233 . . . . 0.0 111.068 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.416 ' N ' HD22 ' B' ' 60' ' ' ASN . 2.6 m120 49.37 38.11 13.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.924 0.392 . . . . 0.0 110.34 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' B' ' 56' ' ' LEU . 66.6 mt -62.3 127.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.848 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' B' ' 65' ' ' SER . 3.2 mm100 -84.97 156.55 21.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.325 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 14.8 ptmm? -53.17 146.29 11.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 63' ' ' LYS . 24.7 pt-20 45.36 40.66 5.59 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.799 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.9 t -71.17 138.5 49.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 85.2 m -86.18 130.76 34.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.077 0.465 . . . . 0.0 112.065 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.553 HD12 ' C ' ' B' ' 66' ' ' THR . 8.2 mp -123.41 135.5 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.941 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.564 ' HE1' ' HB3' ' A' ' 18' ' ' ASP . 35.8 m170 -91.79 116.17 28.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.007 0.432 . . . . 0.0 111.98 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' B' ' 8' ' ' LEU . 63.9 tp -84.97 128.78 34.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.185 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.954 HG22 HD11 ' B' ' 8' ' ' LEU . 49.7 t -114.91 118.76 59.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.471 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 40' ' ' GLN . 54.0 tp -89.46 127.83 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.583 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 45.8 mtp85 -80.16 128.38 33.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 73' ' ' LEU . 6.8 mp -79.39 142.26 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.789 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -55.39 -47.5 75.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.79 -135.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.545 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.521 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.7 146.94 54.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -155.32 34.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.247 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -23.59 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.054 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -50.66 -34.75 27.65 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.319 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' HG12 ' A' ' 15' ' ' ILE . 48.2 t -59.46 -49.28 78.42 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.906 ' HB3' HD21 ' A' ' 39' ' ' LEU . 67.8 mttm -63.74 -37.53 87.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.451 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -41.38 95.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.255 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.7 p -61.42 -42.23 98.41 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.93 HG21 HD12 ' B' ' 8' ' ' LEU . 21.7 mm -55.5 -41.44 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.51 -42.38 99.47 Favored 'General case' 0 CA--C 1.524 -0.055 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.815 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -54.82 -52.3 63.12 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.005 0.431 . . . . 0.0 110.025 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.33 -29.32 64.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 57.6 tpp -63.8 -39.01 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.664 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CG ' HD12 ' A' ' 23' ' ' ILE . 17.7 m-85 -130.78 111.97 16.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.337 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.9 -41.86 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.311 2.008 . . . . 0.0 112.374 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.78 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.0 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.788 HG23 ' HD3' ' A' ' 27' ' ' LYS . 59.3 mt -64.52 132.03 30.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.983 0.421 . . . . 0.0 111.615 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.9 p -71.52 146.84 48.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -52.73 -40.48 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.6 p -58.65 -47.41 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.788 ' HD3' HG23 ' A' ' 23' ' ' ILE . 61.9 tttm -59.01 -48.76 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.5 tt0 -62.65 -41.28 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.289 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 26' ' ' SER . 61.8 t -60.16 -49.67 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -59.61 -45.16 92.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.242 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.69 -39.8 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 95.5 mt -71.5 -40.56 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.972 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 50.6 mt-10 -51.42 -63.23 1.2 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 75.5 m-80 -63.05 -63.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 110.467 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 50.8 t30 172.47 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.026 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 p30 173.43 33.01 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.558 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.92 140.12 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 12' ' ' LYS . 74.8 mt -91.26 -50.58 5.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.16 -40.39 89.73 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.442 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.42 -58.01 4.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.454 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 87.4 m -56.05 -53.3 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 66.4 mt -62.14 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.41 -42.52 57.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.216 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.4 -46.86 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.901 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 39.5 mt -61.17 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.109 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.551 HD22 ' HA ' ' B' ' 48' ' ' LYS . 86.0 mt -55.02 -41.24 71.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.015 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 87.2 tttt -82.08 39.54 0.58 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 86.7 tt0 -71.74 -50.66 28.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -77.34 67.25 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -163.07 -44.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.926 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.18 -42.11 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 4.9 ttmp? -59.83 140.92 56.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.025 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 74.0 mt-30 -77.37 147.07 36.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.915 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -137.3 138.01 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 m-85 -79.51 145.76 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -131.86 97.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.8 ' HG2' HG22 ' B' ' 12' ' ' THR . 28.4 mtpp -78.23 139.5 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.565 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 74.6 p -93.54 145.9 24.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.553 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.014 HD22 HG13 ' B' ' 70' ' ' VAL . 45.1 tp -50.48 -35.88 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -70.53 -61.98 1.56 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.34 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.89 65.78 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.148 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -159.52 125.36 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 111.233 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.8 HG22 ' HG2' ' B' ' 6' ' ' LYS . 47.2 p -87.89 142.18 28.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.244 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.42 HG22 ' CD2' ' B' ' 15' ' ' LEU . 59.0 mt -132.05 118.6 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.38 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.626 ' C ' HD22 ' B' ' 15' ' ' LEU . 55.4 m -84.12 132.09 34.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.535 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.626 HD22 ' C ' ' B' ' 14' ' ' THR . 3.8 mm? -131.04 153.15 49.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.605 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HE3' ' B' ' 29' ' ' LYS . 5.6 tp10 -107.27 124.28 49.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.915 HG22 HD12 ' B' ' 3' ' ' ILE . 31.2 m -150.56 133.4 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.04 0.448 . . . . 0.0 111.604 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.557 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 42.2 tp10 -67.87 150.82 48.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.542 ' HA ' HD12 ' B' ' 56' ' ' LEU . 37.0 t -77.15 41.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.228 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -163.53 32.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.963 0.411 . . . . 0.0 110.946 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.557 ' OD1' ' HB3' ' B' ' 18' ' ' GLU . 1.2 m-20 -98.2 -122.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.678 HG23 ' H ' ' B' ' 25' ' ' ASN . 6.1 t -169.09 147.46 3.85 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.576 0.227 . . . . 0.0 110.94 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 54' ' ' ARG . 44.8 mm -51.18 -43.88 28.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 8.0 t70 -55.16 -39.91 70.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.275 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.678 ' H ' HG23 ' B' ' 22' ' ' THR . 25.5 t-20 -56.75 -44.67 81.96 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.955 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.39 -39.26 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.85 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 48.7 mmtm -57.95 -47.1 83.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.792 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.572 ' HA ' ' NE2' ' B' ' 31' ' ' GLN . 50.1 m -63.18 -43.29 98.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.754 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.601 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.2 mtpm? -62.36 -44.58 96.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.375 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.57 HD12 HD21 ' B' ' 43' ' ' LEU . 83.5 mt -64.27 -50.48 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.608 ' HG3' ' H ' ' B' ' 32' ' ' ASP . 20.3 pt20 -61.24 -54.97 37.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.909 0.385 . . . . 0.0 111.631 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.608 ' H ' ' HG3' ' B' ' 31' ' ' GLN . 64.0 t0 -54.85 -40.57 69.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.83 -69.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 112.027 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -69.67 -54.53 13.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.841 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.32 61.94 0.34 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.374 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.597 HD12 HD21 ' B' ' 69' ' ' LEU . 69.5 mt -136.9 132.96 18.52 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-N 116.789 0.294 . . . . 0.0 111.317 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 54.2 Cg_exo -52.03 137.31 53.45 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.439 2.093 . . . . 0.0 112.026 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.83 -44.29 31.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.701 2.267 . . . . 0.0 112.822 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.48 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 35.4 p-10 -64.4 -40.05 95.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.794 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.576 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 26.4 mt-30 -72.98 -46.86 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.498 ' HB2' HD11 ' B' ' 69' ' ' LEU . 3.2 pt20 -63.49 134.71 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.623 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.533 ' HE ' ' HB3' ' B' ' 49' ' ' GLN . 79.2 ttt180 -134.42 114.22 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.506 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.57 HD21 HD12 ' B' ' 30' ' ' ILE . 8.7 mp -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.381 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 47' ' ' LEU . 91.2 mt -100.73 142.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.841 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -164.36 141.01 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.785 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.2 33.59 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.27 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.11 72.52 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.838 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.551 ' HA ' HD22 ' A' ' 47' ' ' LEU . 38.1 ttpt -173.14 144.56 1.24 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.304 0.552 . . . . 0.0 111.912 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.549 ' HA ' ' O ' ' B' ' 43' ' ' LEU . 25.9 pt20 -58.4 137.13 57.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.003 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' ' 45' ' ' PHE . 83.3 mt -75.78 130.84 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.785 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 51.6 mt-10 -66.86 136.09 54.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -66.17 138.9 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.655 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.489 ' HA2' ' OG1' ' B' ' 22' ' ' THR . . . 77.55 41.32 20.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.126 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.574 ' O ' HG12 ' B' ' 23' ' ' ILE . 38.7 mmt180 -127.29 132.81 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 0.0 111.039 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -68.37 145.65 53.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.398 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' B' ' 19' ' ' SER . 88.6 mt -54.44 -40.96 68.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -59.76 -32.48 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.419 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -53.88 -54.84 32.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.273 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.48 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.0 m-85 -82.7 20.76 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.822 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 49.49 34.14 6.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.5 mt -69.18 126.43 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.1 -155.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.09 145.07 29.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 88.7 mt-10 60.1 40.32 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.634 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 -151.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 88.1 m -158.64 128.96 5.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.6 mt -123.73 134.96 53.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.499 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.0 m-70 -95.81 127.67 42.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.427 . . . . 0.0 111.74 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.597 HD21 HD12 ' B' ' 36' ' ' ILE . 68.7 tp -95.67 126.97 41.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.895 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.014 HG13 HD22 ' B' ' 8' ' ' LEU . 70.2 t -141.27 133.49 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.106 0.479 . . . . 0.0 111.157 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 59.5 tp -75.51 133.93 40.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.328 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 40' ' ' GLN . 99.7 mtt180 -75.12 -134.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.691 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.76 138.18 58.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.974 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 74' ' ' ARG . 28.0 tpt180 -168.15 47.22 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 0.0 110.217 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.61 137.06 44.51 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.735 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.6 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.671 0.272 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -67.05 130.92 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.94 41.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.628 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.12 -23.81 63.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.457 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 14.9 pt-20 -50.66 -38.63 47.56 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.637 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -58.32 -47.93 82.16 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HB3' HD21 ' A' ' 39' ' ' LEU . 62.3 mttp -60.97 -38.21 85.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.361 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 16' ' ' LEU . 62.0 tp -60.09 -39.26 85.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -59.4 -46.25 89.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.293 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG22 ' SD ' ' A' ' 19' ' ' MET . 7.0 mm -56.34 -42.82 75.44 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.762 ' HB3' HD13 ' A' ' 28' ' ' LEU . 96.7 mt -58.68 -41.51 86.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.42 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.574 ' SD ' ' HD3' ' A' ' 25' ' ' LYS . 75.4 mtm -62.08 -51.37 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.444 ' HB3' ' HE1' ' B' ' 68' ' ' HIS . 8.4 t70 -67.71 -36.28 80.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.094 0.473 . . . . 0.0 110.483 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' HD13 ' A' ' 43' ' ' ILE . 6.9 mtt -69.2 -33.14 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.509 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.9 m-85 -136.79 64.92 52.0 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' B' ' 46' ' ' ALA . 71.4 Cg_exo -49.83 -42.28 44.66 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.713 2.275 . . . . 0.0 112.584 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.91 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 20' ' ' PHE . 72.5 mt -68.97 134.26 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -65.2 140.95 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HD3' ' SD ' ' A' ' 17' ' ' MET . 25.7 ttpp -56.26 -37.56 69.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 30' ' ' VAL . 80.6 p -55.65 -48.35 75.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.164 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.9 ttmp? -61.03 -47.01 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.64 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 16' ' ' LEU . 85.8 mt -57.82 -40.05 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.62 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 52.0 tt0 -62.91 -42.58 99.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 26' ' ' SER . 68.6 t -59.06 -49.26 83.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -60.36 -41.5 93.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 9' ' ' HIS . 56.0 tp -61.14 -42.58 98.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 89.7 mt -62.74 -44.46 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' VAL . 56.5 mt-10 -58.53 -54.5 46.36 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.263 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -81.1 36.71 0.42 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 64.48 -73.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.271 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 177.37 36.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -97.15 130.13 44.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' ' 12' ' ' LYS . 68.6 mt -79.59 -43.51 22.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.001 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.24 -50.78 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.98 -57.6 5.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 46' ' ' LEU . 91.8 m -55.94 -62.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.444 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.803 HD11 HD22 ' A' ' 39' ' ' LEU . 63.2 mt -57.37 -40.17 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.96 -46.0 55.79 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.854 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.8 -39.04 76.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.808 0.337 . . . . 0.0 110.763 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 42' ' ' THR . 4.1 mm? -56.38 -39.04 72.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' B' ' 49' ' ' GLN . 47.3 mt -54.86 -49.34 71.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.844 0.354 . . . . 0.0 110.765 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -83.86 43.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -71.08 -46.97 60.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.44 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -61.47 -51.08 70.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.447 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.82 131.13 46.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.107 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -177.04 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.725 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -74.99 -147.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.727 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.884 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.879 0.371 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.65 140.69 56.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.739 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.402 HG12 ' O ' ' B' ' 15' ' ' LEU . 35.7 pt -142.16 133.29 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.577 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.65 134.66 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.712 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -116.11 85.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.23 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.574 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 88.0 tttt -75.46 135.34 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.277 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -105.29 153.34 21.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.873 HD22 HD13 ' A' ' 39' ' ' LEU . 88.6 mt -49.95 -42.0 47.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -64.08 -61.34 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.15 59.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.54 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 13' ' ' ILE . 24.1 ttmm -141.71 123.2 14.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.7 p -107.18 76.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.765 HD11 ' HD3' ' B' ' 11' ' ' LYS . 46.1 mm -69.81 123.47 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.686 ' C ' HD22 ' B' ' 15' ' ' LEU . 89.0 m -91.09 134.93 34.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.686 HD22 ' C ' ' B' ' 14' ' ' THR . 3.6 mm? -133.48 145.27 50.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.442 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -98.64 126.5 44.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.743 HG11 HG22 ' B' ' 26' ' ' VAL . 28.1 m -152.63 140.53 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mp0 -65.76 144.66 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.364 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.593 ' HA ' HD12 ' B' ' 56' ' ' LEU . 80.5 p -57.67 -42.33 83.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.765 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -93.76 33.28 1.31 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.5 ' O ' HG22 ' B' ' 55' ' ' THR . 8.5 t0 -90.83 -123.74 0.07 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.377 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.545 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.4 t -166.45 141.86 4.53 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.9 mm -52.32 -41.53 34.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.38 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.09 -42.73 63.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.545 ' H ' HG23 ' B' ' 22' ' ' THR . 46.7 t30 -61.92 -41.66 98.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.743 HG22 HG11 ' B' ' 17' ' ' VAL . 60.3 t -57.56 -50.55 76.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 96.3 mttt -61.51 -36.45 80.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.02 -47.76 84.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.629 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 8.1 mtpm? -62.64 -45.06 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.95 -41.57 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.44 -48.31 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -38.37 86.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.407 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.72 -72.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.3 -39.4 62.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 88.75 34.35 9.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.184 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -91.81 132.94 31.66 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.411 0.148 . . . . 0.0 111.014 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 53.2 Cg_exo -54.87 133.81 59.75 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.277 1.984 . . . . 0.0 112.03 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.57 -39.7 80.61 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.85 -42.72 80.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' B' ' 37' ' ' PRO . 73.5 mt-30 -78.55 34.33 0.21 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.704 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.84 ' HB2' HD11 ' B' ' 69' ' ' LEU . 2.9 pt20 -162.59 136.99 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' B' ' 42' ' ' ARG . 1.0 OUTLIER -130.61 123.48 29.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.593 HD11 HD23 ' B' ' 67' ' ' LEU . 58.5 tp -79.12 129.0 34.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.775 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.65 HD13 HD21 ' A' ' 47' ' ' LEU . 96.1 mt -131.55 136.38 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.52 . . . . 0.0 111.326 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 22.4 t80 -157.79 151.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.195 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.484 ' O ' ' HD2' ' A' ' 21' ' ' PRO . . . 68.66 -65.81 0.26 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.636 0.585 . . . . 0.0 110.724 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.04 23.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.329 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.527 ' HA ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -173.34 164.07 4.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.215 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.868 ' HB2' HD13 ' A' ' 47' ' ' LEU . 41.5 tt0 -64.8 128.54 36.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 76.2 mt -76.72 135.57 39.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.259 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.32 138.56 58.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.63 50.47 1.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.28 50.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.54 ' O ' HG12 ' B' ' 23' ' ' ILE . 40.1 mmt180 -147.76 137.82 22.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.937 0.399 . . . . 0.0 111.176 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.5 HG22 ' O ' ' B' ' 21' ' ' ASP . 80.8 p -63.38 151.4 41.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.856 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.731 HD11 HG23 ' B' ' 17' ' ' VAL . 86.9 mt -58.01 -44.85 87.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.004 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -57.71 -29.01 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.701 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -53.95 -53.4 53.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.123 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' B' ' 61' ' ' ILE . 32.8 m-85 -83.78 17.77 2.2 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.577 0.227 . . . . 0.0 110.859 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 51.42 37.11 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 0.0 110.305 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' B' ' 59' ' ' TYR . 74.8 mt -64.08 126.72 23.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.409 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -87.44 146.63 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.843 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -49.6 141.4 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.041 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 60.94 38.06 17.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.746 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.5 p -68.53 142.25 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -96.06 87.26 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.697 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.593 HD23 HD11 ' B' ' 43' ' ' LEU . 9.0 mp -85.76 134.1 33.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.159 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.574 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 34.3 m170 -96.32 130.37 43.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' B' ' 41' ' ' GLN . 66.2 tp -110.46 120.63 43.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.661 HG22 HD11 ' B' ' 8' ' ' LEU . 58.8 t -96.74 118.62 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.43 136.42 34.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.066 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -68.84 -51.51 39.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.3 134.33 48.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.55 136.9 57.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.821 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.36 45.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.393 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.468 -1.184 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.6 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -168.18 139.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.019 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 t0 62.3 41.14 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -74.68 -23.93 58.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.97 -35.53 34.17 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -59.6 -46.0 90.24 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.394 0.616 . . . . 0.0 109.505 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.6 mptp? -63.47 -40.25 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.24 -37.31 77.23 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.076 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 11' ' ' SER . 49.2 m -60.48 -45.13 94.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.49 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.844 HG21 HD12 ' B' ' 8' ' ' LEU . 10.1 mm -59.34 -39.01 77.89 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.8 mt -59.48 -45.14 92.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.411 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 68.8 mtm -63.87 -49.21 73.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.698 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.52 -48.01 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.398 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.632 ' SD ' HD13 ' A' ' 43' ' ' ILE . 50.5 ttm -58.18 -45.01 88.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.642 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 17.6 m-85 -105.0 90.64 3.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 19' ' ' MET . 98.9 Cg_endo -78.36 44.58 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.57 2.18 . . . . 0.0 112.568 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.6 41.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.8 mt -149.06 133.15 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.4 p -62.55 138.73 58.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.7 -41.76 77.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.7 m -55.87 -46.96 78.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.8 ttmp? -59.63 -45.55 91.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 16' ' ' LEU . 96.8 mt -58.08 -42.35 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.22 -42.9 99.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 26' ' ' SER . 65.4 t -58.22 -52.11 62.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -61.0 -43.37 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.039 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.18 -47.47 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.554 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 9' ' ' HIS . 96.8 mt -69.82 -48.22 59.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 69.2 mm-40 -52.29 -46.3 65.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.685 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 73.5 m-80 -64.86 -78.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.36 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 15.9 p-10 166.96 38.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.296 0.373 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.75 50.47 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.75 128.57 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' CB ' HD21 ' B' ' 8' ' ' LEU . 61.2 mt -76.98 -42.92 36.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.698 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -54.2 -47.34 72.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.605 0.24 . . . . 0.0 111.196 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.49 -59.64 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.842 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.52 ' O ' HD23 ' A' ' 46' ' ' LEU . 69.7 m -55.65 -63.75 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.289 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.642 HG23 ' HZ ' ' A' ' 20' ' ' PHE . 66.0 mt -52.3 -42.41 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.796 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -52.3 -41.38 54.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.301 -0.952 . . . . 0.0 110.79 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.628 HD12 ' HE3' ' A' ' 48' ' ' LYS . 39.2 tp -67.36 -43.7 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.307 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 42' ' ' THR . 4.5 mm? -55.64 -45.21 77.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.233 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' B' ' 49' ' ' GLN . 48.4 mt -57.47 -47.14 82.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.121 0.486 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.628 ' HE3' HD12 ' A' ' 45' ' ' LEU . 60.5 pttt -88.11 42.21 1.05 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.82 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 4.3 tm-20 -62.62 -50.75 70.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.682 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -67.64 -45.1 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 57.8 47.74 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.162 0.506 . . . . 0.0 110.14 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -175.75 137.26 0.34 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.355 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 3.1 mppt? -56.22 133.54 52.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.902 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 23.6 ptm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.47 ' HG3' ' HG2' ' B' ' 64' ' ' GLU . 18.1 pt20 -85.48 144.91 27.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.753 HD12 HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -128.82 138.76 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.433 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.4 m-85 -83.36 145.88 28.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.579 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.443 HG21 HD11 ' B' ' 30' ' ' ILE . 59.5 t -140.61 92.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' B' ' 12' ' ' THR . 39.9 ttpt -93.59 133.86 36.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.634 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -74.57 148.54 40.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.548 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.844 HD12 HG21 ' A' ' 15' ' ' ILE . 25.9 tp -48.27 -34.96 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.77 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -66.46 -58.76 4.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.34 64.67 0.01 OUTLIER Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.296 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 60.2 tttm -154.15 109.86 3.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.066 0.433 . . . . 0.0 111.369 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.722 HG22 ' HB2' ' B' ' 6' ' ' LYS . 41.4 p -80.92 142.4 33.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.592 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' B' ' 15' ' ' LEU . 48.9 mt -134.44 119.36 29.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.681 ' C ' HD22 ' B' ' 15' ' ' LEU . 74.2 m -90.73 133.75 34.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.792 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.681 HD22 ' C ' ' B' ' 14' ' ' THR . 3.7 mm? -133.84 148.58 51.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -96.07 122.45 38.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.817 HG11 HG22 ' B' ' 26' ' ' VAL . 26.7 m -152.84 138.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.968 0.413 . . . . 0.0 111.714 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.88 147.04 53.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.987 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 42.7 t -60.91 -40.47 93.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.4 p -87.89 29.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -91.36 -134.73 0.13 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.08 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.662 HG23 ' H ' ' B' ' 25' ' ' ASN . 9.1 t -161.84 146.43 12.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.719 0.295 . . . . 0.0 111.262 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.8 mm -50.63 -40.19 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.193 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.25 -43.53 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.666 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.662 ' H ' HG23 ' B' ' 22' ' ' THR . 2.0 m120 -66.07 -44.74 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.548 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.817 HG22 HG11 ' B' ' 17' ' ' VAL . 58.8 t -58.56 -53.57 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.646 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD13 ' B' ' 43' ' ' LEU . 13.1 mptt -63.8 -28.46 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.573 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' B' ' 31' ' ' GLN . 46.3 t -60.96 -48.66 80.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.97 -42.61 98.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.566 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.489 HG12 ' HG ' ' B' ' 15' ' ' LEU . 67.9 mt -61.96 -34.72 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.145 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 70.4 tp60 -61.71 -49.12 77.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.49 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.88 -36.09 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -66.98 -68.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.087 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -80.07 -41.71 25.11 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.3 37.0 11.48 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.976 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.01 132.11 28.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.43 0.157 . . . . 0.0 110.798 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -52.03 138.68 52.83 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.592 2.194 . . . . 0.0 112.271 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.65 -45.24 6.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.893 2.395 . . . . 0.0 112.813 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.5 -45.19 94.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.257 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.6 OUTLIER -63.94 -49.91 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.571 -179.6 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -65.55 131.68 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 111.224 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -116.18 119.64 36.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.691 HD13 ' HE2' ' B' ' 27' ' ' LYS . 17.5 mt -77.51 125.35 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.579 HG21 ' SD ' ' A' ' 19' ' ' MET . 90.8 mt -136.32 134.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.482 0.658 . . . . 0.0 111.835 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD11 ' B' ' 50' ' ' LEU . 38.8 t80 -168.37 142.6 3.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.236 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.26 22.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.044 0.45 . . . . 0.0 110.071 -179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.56 33.31 66.51 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.174 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -152.63 139.49 19.02 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.611 0.243 . . . . 0.0 110.868 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.687 ' HB2' HD13 ' A' ' 47' ' ' LEU . 52.8 tt0 -65.43 126.86 29.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.284 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' B' ' 45' ' ' PHE . 76.8 mt -83.84 130.95 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.911 0.386 . . . . 0.0 111.446 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -81.29 137.48 35.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' B' ' 23' ' ' ILE . 53.5 m-20 -59.85 -49.39 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.35 60.94 4.48 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.681 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.606 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 5.7 tpm_? -151.68 136.93 17.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.553 ' H ' ' HE ' ' B' ' 54' ' ' ARG . 74.9 p -74.51 149.45 40.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.239 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 61' ' ' ILE . 67.6 mt -57.36 -39.01 75.07 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.15 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -52.83 -36.95 59.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.29 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 60.3 t0 -56.08 -57.15 13.36 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.485 ' HB2' HG13 ' B' ' 61' ' ' ILE . 93.7 m-85 -78.07 13.13 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.237 -0.185 . . . . 0.0 111.469 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 49.0 34.71 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.046 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.485 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.9 mt -64.95 122.94 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -79.54 -157.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.542 ' NZ ' ' HB2' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -93.61 141.54 28.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' B' ' 2' ' ' GLN . 50.7 mt-10 58.83 36.72 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -73.7 135.81 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.669 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.468 ' C ' HD12 ' B' ' 67' ' ' LEU . 86.5 m -87.75 127.03 35.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.468 HD12 ' C ' ' B' ' 66' ' ' THR . 7.5 mp -116.94 131.82 56.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.37 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.583 ' CB ' ' HE2' ' A' ' 19' ' ' MET . 40.5 m170 -89.95 129.07 36.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 111.311 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -113.6 107.91 16.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.108 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.743 HG13 HD22 ' B' ' 8' ' ' LEU . 96.6 t -93.83 123.25 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.01 135.79 39.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -62.36 -47.15 85.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.39 138.3 58.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.411 ' HG3' HH11 ' B' ' 74' ' ' ARG . 50.9 mtm-85 -79.5 45.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.11 133.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.497 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.537 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.837 0.351 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -145.54 -33.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.589 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -75.63 39.35 0.16 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.29 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.525 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -66.34 -24.14 66.47 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 95.4 mt-10 -51.1 -36.68 41.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.4 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -58.3 -47.44 83.67 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 39' ' ' LEU . 93.1 mttt -62.69 -38.92 92.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.051 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 62.7 tp -58.01 -39.41 78.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.239 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -60.8 -45.04 95.96 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.824 HG21 HD12 ' B' ' 8' ' ' LEU . 16.6 mm -56.88 -39.22 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.697 ' HB3' HD13 ' A' ' 28' ' ' LEU . 74.0 mt -61.56 -45.5 93.87 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.953 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.9 mtp -54.97 -52.55 62.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -71.01 -29.98 66.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.437 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 63.4 tpp -61.55 -44.14 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.579 ' HZ ' HG23 ' A' ' 43' ' ' ILE . 7.5 m-85 -120.55 109.69 36.2 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.39 52.36 4.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.746 2.297 . . . . 0.0 112.951 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.45 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 ' HD3' ' A' ' 27' ' ' LYS . 61.6 mt -63.34 133.55 29.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 111.393 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -65.14 142.2 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.58 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -55.94 -41.62 74.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.084 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -60.15 -46.0 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 23' ' ' ILE . 88.4 tttt -58.83 -46.79 86.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 16' ' ' LEU . 91.1 mt -57.21 -40.03 76.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.683 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -61.82 -44.28 97.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.365 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 99.8 t -58.74 -48.11 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB3' HG23 ' A' ' 42' ' ' THR . 89.2 m-70 -60.97 -39.8 90.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' HIS . 54.9 tp -60.2 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.024 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.83 -45.07 93.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' VAL . 5.5 mm-40 -62.21 -47.17 85.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.919 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 74.5 m-20 -79.27 38.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 m120 48.61 41.14 16.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.22 44.32 29.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.453 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -115.18 123.93 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 8' ' ' LEU . 83.5 mt -75.23 -40.74 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -58.68 -43.22 89.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.511 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.8 tp -74.08 -53.19 10.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 111.345 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 31' ' ' HIS . 92.8 m -55.61 -55.96 25.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 64.8 mt -61.63 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.48 33.35 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.574 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -69.51 -44.25 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.218 0.532 . . . . 0.0 110.087 179.252 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 42' ' ' THR . 88.4 mt -62.51 -38.22 89.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.514 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' HB3' ' B' ' 49' ' ' GLN . 61.6 mt -50.69 -45.45 58.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.025 0.44 . . . . 0.0 110.299 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . 52.3 mtmt -83.24 43.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.642 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 87.8 tt0 -64.85 -45.47 85.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -170.69 55.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.329 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' OD2' ' HA ' ' A' ' 48' ' ' LYS . 58.4 m-20 -64.77 -137.8 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.21 -42.31 90.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.39 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -57.05 144.96 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.939 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.646 ' HB2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.998 0.428 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.627 HE22 ' HB2' ' B' ' 16' ' ' GLU . 95.9 mm-40 -65.96 148.76 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 HG21 ' B' ' 17' ' ' VAL . 46.1 pt -136.59 134.83 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.725 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 2.3 m-85 -79.66 142.51 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.439 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 67' ' ' LEU . 48.8 t -137.97 77.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.936 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 60.7 tttm -75.04 124.73 27.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -75.05 149.16 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.959 HD22 HG13 ' B' ' 70' ' ' VAL . 25.2 tp -50.85 -37.72 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -67.6 -56.19 10.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.4 -41.37 0.24 Allowed Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.97 126.88 19.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 111.305 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 62.8 m -100.74 138.53 37.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' B' ' 15' ' ' LEU . 56.3 mt -129.15 130.15 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.632 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.646 ' C ' HD22 ' B' ' 15' ' ' LEU . 48.7 m -106.93 134.96 49.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.351 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' B' ' 14' ' ' THR . 3.2 mm? -131.06 144.68 51.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 111.033 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.627 ' HB2' HE22 ' B' ' 2' ' ' GLN . 37.8 tt0 -91.56 128.57 37.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.047 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.529 HG21 HD13 ' B' ' 3' ' ' ILE . 29.7 m -152.48 134.31 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 111.373 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.5 tp10 -66.35 154.92 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.406 ' HA ' ' HE1' ' B' ' 1' ' ' MET . 78.8 p -52.23 -41.88 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.447 ' H ' ' HG3' ' B' ' 18' ' ' GLU . 80.3 p -90.31 35.1 0.86 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 32.4 t70 -78.22 -130.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.305 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.551 HG23 ' H ' ' B' ' 25' ' ' ASN . 4.1 t -176.93 139.41 0.28 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.624 0.25 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.518 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.5 mm -53.58 -40.57 42.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' GLY . 8.1 t70 -53.54 -45.06 69.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.368 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.555 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 26.3 t-20 -60.98 -40.32 92.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.465 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.4 t -56.39 -49.81 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.663 ' HZ1' ' H ' ' B' ' 43' ' ' LEU . 66.3 mttm -61.47 -37.23 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -58.3 -50.15 74.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 68.2 mttm -61.23 -45.09 95.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.0 mt -58.04 -39.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.253 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.611 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 45.3 tt0 -61.99 -43.58 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.85 -43.75 97.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' B' ' 15' ' ' LEU . 7.7 mtpm? -69.88 -67.51 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.57 -42.67 74.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.25 40.7 6.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.044 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.501 HG21 ' CD1' ' B' ' 71' ' ' LEU . 74.4 mt -112.96 134.59 21.75 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.159 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 71.7 Cg_exo -51.17 139.7 42.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.427 2.084 . . . . 0.0 112.113 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.611 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 21.0 Cg_endo -60.75 -38.8 68.29 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.813 2.342 . . . . 0.0 112.696 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -57.25 -46.46 83.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.525 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -57.22 7.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.509 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.793 ' HB2' HD11 ' B' ' 69' ' ' LEU . 18.2 pt20 -62.16 142.64 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HZ1' ' B' ' 27' ' ' LYS . 54.5 ttp180 -142.91 125.69 16.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.663 ' H ' ' HZ1' ' B' ' 27' ' ' LYS . 90.8 mt -82.94 137.22 34.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.281 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.513 HD13 HG21 ' A' ' 43' ' ' ILE . 87.7 mt -127.09 142.48 43.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.656 ' HB3' HD21 ' B' ' 50' ' ' LEU . 36.0 t80 -165.46 149.97 8.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.973 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.62 33.28 18.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.098 0.475 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.03 32.47 76.98 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.704 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -172.55 145.56 1.6 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 117.241 0.521 . . . . 0.0 111.218 179.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.845 ' HB3' HD13 ' A' ' 47' ' ' LEU . 19.4 pt20 -58.94 130.5 47.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.367 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' B' ' 45' ' ' PHE . 97.1 mt -76.37 135.28 39.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.41 134.38 48.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -68.17 144.08 55.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 85.71 -26.94 5.56 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.873 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.518 ' O ' HG12 ' B' ' 23' ' ' ILE . 7.6 tpt180 -65.16 132.74 49.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.694 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -69.34 149.38 48.49 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 112.143 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.426 HD23 HD12 ' B' ' 61' ' ' ILE . 41.2 mt -57.05 -43.74 82.31 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -53.33 -35.89 60.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.083 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -55.48 -52.09 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.632 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.597 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.0 m-85 -79.91 13.33 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.87 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 50.37 37.34 15.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 0.0 110.053 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.597 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.8 mt -62.81 125.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.71 148.59 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.442 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.716 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 86.4 tttt -50.3 141.51 11.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.716 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 56.5 mt-10 61.7 40.83 12.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.887 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.4 t -68.46 135.96 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.963 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.537 ' HA ' ' HB2' ' B' ' 4' ' ' PHE . 47.0 m -80.98 83.11 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 5' ' ' VAL . 95.7 mt -84.86 131.28 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.035 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -100.54 128.06 46.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.079 0.466 . . . . 0.0 112.136 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 41' ' ' GLN . 61.4 tp -100.78 134.01 44.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.997 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.959 HG13 HD22 ' B' ' 8' ' ' LEU . 88.5 t -136.7 128.63 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.529 ' N ' HD22 ' B' ' 71' ' ' LEU . 2.8 mm? -81.96 140.22 34.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.275 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -69.74 -49.12 56.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.725 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.822 ' HG ' ' HD3' ' B' ' 74' ' ' ARG . 33.2 tp -66.12 128.9 37.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.83 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.822 ' HD3' ' HG ' ' B' ' 73' ' ' LEU . 1.0 OUTLIER 51.87 -133.78 1.73 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.917 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.47 ' H ' ' HB3' ' B' ' 74' ' ' ARG . . . -171.0 -44.62 0.03 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.561 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.456 -1.191 . . . . 0.0 112.543 179.961 . . . . . . . . 0 0 . 1 stop_ save_